N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine

C51H59ClF2N10O4 — CID 158992966

IUPACN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine
SMILESCCCCCCCCCCN.N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O2.C20H18ClFN4O2.C10H23N/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20;21-16-11-13(19-12-23-8-10-28-19)1-6-17(16)24-20(27)18-7-9-26(25-18)15-4-2-14(22)3-5-15;1-2-3-4-5-6-7-8-9-10-11/h1-7,9,11,20,24H,8,10,13H2,(H,25,28);1-7,9,11,19,23H,8,10,12H2,(H,24,27);2-11H2,1H3/t;19-;/m.1./s1
InChIKeyJQJWLHSCWXKLTB-PNJSEINJSA-N
MW949.55 g/mol
LogP9.46
Rot. Bonds16

About N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine

N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine (PubChem CID 158992966) has the molecular formula C51H59ClF2N10O4 and a molecular weight of 949.55 g/mol. Its IUPAC name is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine.

Molecular Properties

Compound NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine
PubChem CID158992966
Molecular FormulaC51H59ClF2N10O4
Molecular Weight949.55 g/mol
Exact Mass948.44
IUPAC NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine
SMILESCCCCCCCCCCN.N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O2.C20H18ClFN4O2.C10H23N/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20;21-16-11-13(19-12-23-8-10-28-19)1-6-17(16)24-20(27)18-7-9-26(25-18)15-4-2-14(22)3-5-15;1-2-3-4-5-6-7-8-9-10-11/h1-7,9,11,20,24H,8,10,13H2,(H,25,28);1-7,9,11,19,23H,8,10,12H2,(H,24,27);2-11H2,1H3/t;19-;/m.1./s1
InChIKeyJQJWLHSCWXKLTB-PNJSEINJSA-N
XLogP9.46
TPSA186.17 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.55
LogP ≤ 59.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
(RS)-N-(2-cyano-4-(morpholin-2-yl)phenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 71086881
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71087146
N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086816
2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 157319218
3-(3-cyanophenyl)-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide;3-(3-cyanophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 157352703
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide;1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 158246664
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 159312969
1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 159632775
N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 159784994
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 159998276
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 160220169

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine?
The IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine (CID 158992966) is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine.
What is the SMILES notation for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine?
The canonical SMILES for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine is CCCCCCCCCCN.N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine?
The InChIKey is JQJWLHSCWXKLTB-PNJSEINJSA-N. The full InChI is InChI=1S/C21H18FN5O2.C20H18ClFN4O2.C10H23N/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20;21-16-11-13(19-12-23-8-10-28-19)1-6-17(16)24-20(27)18-7-9-26(25-18)15-4-2-14(22)3-5-15;1-2-3-4-5-6-7-8-9-10-11/h1-7,9,11,20,24H,8,10,13H2,(H,25,28);1-7,9,11,19,23H,8,10,12H2,(H,24,27);2-11H2,1H3/t;19-;/m.1./s1.
What are the key properties of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine?
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine has a molecular weight of 949.55 g/mol, XLogP of 9.46, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;decan-1-amine is sourced from PubChem (CID 158992966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).