N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H18ClFN4O2 — CID 71086815

IUPACN-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18ClFN4O2/c21-16-11-13(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/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m0/s1
InChIKeyRIGJHOCYIDQNRK-IBGZPJMESA-N
MW400.84 g/mol
LogP3.58
Rot. Bonds4

About N-[2-chloro-4-[(2R)-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 (PubChem CID 71086815) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID71086815
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC NameN-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18ClFN4O2/c21-16-11-13(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/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m0/s1
InChIKeyRIGJHOCYIDQNRK-IBGZPJMESA-N
XLogP3.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087915
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
(2S)-2-[3-cyano-4-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71086783
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
CID 71086990
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
2-(2-chloro-4-morpholin-2-ylphenyl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]ethanone
CID 158558850
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 71087228
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 71086815) is N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is RIGJHOCYIDQNRK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-16-11-13(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/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[2-chloro-4-[(2R)-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 has a molecular weight of 400.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71086815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).