3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride

C21H23ClN4O3 — CID 71087965

IUPAC3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[nH]n1.Cl
InChIInChI=1S/C21H22N4O3.ClH/c1-27-19-5-3-2-4-16(19)17-12-18(25-24-17)21(26)23-15-8-6-14(7-9-15)20-13-22-10-11-28-20;/h2-9,12,20,22H,10-11,13H2,1H3,(H,23,26)(H,24,25);1H/t20-;/m1./s1
InChIKeyFSEPQLSJHZPROA-VEIFNGETSA-N
MW414.89 g/mol
LogP3.42
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride

3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 71087965) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID71087965
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[nH]n1.Cl
InChIInChI=1S/C21H22N4O3.ClH/c1-27-19-5-3-2-4-16(19)17-12-18(25-24-17)21(26)23-15-8-6-14(7-9-15)20-13-22-10-11-28-20;/h2-9,12,20,22H,10-11,13H2,1H3,(H,23,26)(H,24,25);1H/t20-;/m1./s1
InChIKeyFSEPQLSJHZPROA-VEIFNGETSA-N
XLogP3.42
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087677
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 164898264
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 87325728

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride (CID 71087965) is 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride is COc1ccccc1-c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[nH]n1.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is FSEPQLSJHZPROA-VEIFNGETSA-N. The full InChI is InChI=1S/C21H22N4O3.ClH/c1-27-19-5-3-2-4-16(19)17-12-18(25-24-17)21(26)23-15-8-6-14(7-9-15)20-13-22-10-11-28-20;/h2-9,12,20,22H,10-11,13H2,1H3,(H,23,26)(H,24,25);1H/t20-;/m1./s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 414.89 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71087965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).