1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide

C17H16ClN3O3 — CID 97331187

IUPAC1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](O)c1ccco1
InChIInChI=1S/C17H16ClN3O3/c1-11-10-21(13-6-3-2-5-12(13)18)20-16(11)17(23)19-9-14(22)15-7-4-8-24-15/h2-8,10,14,22H,9H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyAMDBJQLHKIHUON-AWEZNQCLSA-N
MW345.79 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide (PubChem CID 97331187) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
PubChem CID97331187
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](O)c1ccco1
InChIInChI=1S/C17H16ClN3O3/c1-11-10-21(13-6-3-2-5-12(13)18)20-16(11)17(23)19-9-14(22)15-7-4-8-24-15/h2-8,10,14,22H,9H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyAMDBJQLHKIHUON-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

2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513335
[(2S)-1-acetamidopropan-2-yl] 1-(2-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 97252014
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 110929005
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
CID 110888994
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide (CID 97331187) is 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide is Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](O)c1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is AMDBJQLHKIHUON-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-10-21(13-6-3-2-5-12(13)18)20-16(11)17(23)19-9-14(22)15-7-4-8-24-15/h2-8,10,14,22H,9H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-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-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97331187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).