(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide

C15H16ClN3O3 — CID 95280930

IUPAC(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C15H16ClN3O3/c1-21-12-5-4-9(16)7-10(12)11-8-14(19-18-11)17-15(20)13-3-2-6-22-13/h4-5,7-8,13H,2-3,6H2,1H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyCFEJXDZEFVBFHU-ZDUSSCGKSA-N
MW321.76 g/mol
LogP2.86
Rot. Bonds4

About (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide

(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 95280930) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID95280930
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C15H16ClN3O3/c1-21-12-5-4-9(16)7-10(12)11-8-14(19-18-11)17-15(20)13-3-2-6-22-13/h4-5,7-8,13H,2-3,6H2,1H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyCFEJXDZEFVBFHU-ZDUSSCGKSA-N
XLogP2.86
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166430668
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide (CID 95280930) is (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide is COc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1.
What is the InChIKey of (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is CFEJXDZEFVBFHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-21-12-5-4-9(16)7-10(12)11-8-14(19-18-11)17-15(20)13-3-2-6-22-13/h4-5,7-8,13H,2-3,6H2,1H3,(H2,17,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 95280930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).