1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C14H16N4O2 — CID 175893602

IUPAC1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc([C@H]3CNCCO3)cc2)n1
InChIInChI=1S/C14H16N4O2/c15-14(19)12-5-7-18(17-12)11-3-1-10(2-4-11)13-9-16-6-8-20-13/h1-5,7,13,16H,6,8-9H2,(H2,15,19)/t13-/m1/s1
InChIKeyZDUKPRYWLPWNFM-CYBMUJFWSA-N
MW272.31 g/mol
LogP0.63
Rot. Bonds3

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

1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 175893602) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID175893602
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc([C@H]3CNCCO3)cc2)n1
InChIInChI=1S/C14H16N4O2/c15-14(19)12-5-7-18(17-12)11-3-1-10(2-4-11)13-9-16-6-8-20-13/h1-5,7,13,16H,6,8-9H2,(H2,15,19)/t13-/m1/s1
InChIKeyZDUKPRYWLPWNFM-CYBMUJFWSA-N
XLogP0.63
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.63
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
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 175893602) is 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc([C@H]3CNCCO3)cc2)n1.
What is the InChIKey of 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ZDUKPRYWLPWNFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14(19)12-5-7-18(17-12)11-3-1-10(2-4-11)13-9-16-6-8-20-13/h1-5,7,13,16H,6,8-9H2,(H2,15,19)/t13-/m1/s1.
What are the key properties of 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 175893602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).