1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide

C17H16ClN3O3 — CID 97337801

IUPAC1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O3/c1-11-9-13(20-21(11)15-6-3-2-5-12(15)18)17(23)19-14(10-22)16-7-4-8-24-16/h2-9,14,22H,10H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyGMHPEUGDXMFUMM-AWEZNQCLSA-N
MW345.79 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide (PubChem CID 97337801) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
PubChem CID97337801
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O3/c1-11-9-13(20-21(11)15-6-3-2-5-12(15)18)17(23)19-14(10-22)16-7-4-8-24-16/h2-9,14,22H,10H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyGMHPEUGDXMFUMM-AWEZNQCLSA-N
XLogP2.89
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
3-[2-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166422389
cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678931
3-[[1-(2-chlorophenyl)-5-ethoxypyrazole-3-carbonyl]amino]-3-(2,3-dimethylphenyl)propanoic acid
CID 90094246
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
4-[[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542922
1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide
CID 75445446
1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18161080
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 97331187
1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 43381485

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide (CID 97337801) is 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CO)c2ccco2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is GMHPEUGDXMFUMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-9-13(20-21(11)15-6-3-2-5-12(15)18)17(23)19-14(10-22)16-7-4-8-24-16/h2-9,14,22H,10H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97337801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).