1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

C15H16ClN3O2 — CID 94676392

IUPAC1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-1-4-12(9-11)19-7-6-14(18-19)15(20)17-10-13-5-2-8-21-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,17,20)/t13-/m0/s1
InChIKeySEGXKPIWHSKGID-ZDUSSCGKSA-N
MW305.76 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 94676392) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID94676392
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-1-4-12(9-11)19-7-6-14(18-19)15(20)17-10-13-5-2-8-21-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,17,20)/t13-/m0/s1
InChIKeySEGXKPIWHSKGID-ZDUSSCGKSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 71691397

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (CID 94676392) is 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is SEGXKPIWHSKGID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-3-1-4-12(9-11)19-7-6-14(18-19)15(20)17-10-13-5-2-8-21-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,17,20)/t13-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 94676392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).