4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

C12H12ClN3O — CID 17026858

IUPAC4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)15-12(17)11-10(13)7-14-16-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyZGLSUEOBTSRJBL-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 17026858) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID17026858
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)15-12(17)11-10(13)7-14-16-11/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyZGLSUEOBTSRJBL-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19479372
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71127993
3-[(2-chlorobenzoyl)amino]-4-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 59773565
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122566894
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (CID 17026858) is 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]ncc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZGLSUEOBTSRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)15-12(17)11-10(13)7-14-16-11/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17026858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).