3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide

C21H21ClN4O2 — CID 71087841

IUPAC3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-26-19(12-18(25-26)15-3-2-4-16(22)11-15)21(27)24-17-7-5-14(6-8-17)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyMLUOVCXZUKJFEP-HXUWFJFHSA-N
MW396.88 g/mol
LogP3.65
Rot. Bonds4

About 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide

3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 71087841) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID71087841
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-26-19(12-18(25-26)15-3-2-4-16(22)11-15)21(27)24-17-7-5-14(6-8-17)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyMLUOVCXZUKJFEP-HXUWFJFHSA-N
XLogP3.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ralmitaront
CID 130429734
1-({5-Chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-5-methyl-N-[4-(4-morpholinylmethyl)phenyl]-1H-pyrazole-3-carboxamide hydrochloride
CID 44568757
5-[3-(difluoromethoxy)phenyl]-2-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087925
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
6-(4-Chlorophenyl)-N-(4-fluoro-2-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889753
3-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162651361
N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 67239104
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide
CID 71086985
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71087146
5-[3-(difluoromethoxy)phenyl]-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087303
3-(3-methoxyphenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71087377

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (CID 71087841) is 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is MLUOVCXZUKJFEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-26-19(12-18(25-26)15-3-2-4-16(22)11-15)21(27)24-17-7-5-14(6-8-17)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71087841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).