4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C16H15ClN4O — CID 19479372

IUPAC4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H15ClN4O/c1-11(19-16(22)15-14(17)10-18-20-15)12-5-4-6-13(9-12)21-7-2-3-8-21/h2-11H,1H3,(H,18,20)(H,19,22)
InChIKeyDBJHNFMXCBPZTK-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 19479372) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID19479372
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H15ClN4O/c1-11(19-16(22)15-14(17)10-18-20-15)12-5-4-6-13(9-12)21-7-2-3-8-21/h2-11H,1H3,(H,18,20)(H,19,22)
InChIKeyDBJHNFMXCBPZTK-UHFFFAOYSA-N
XLogP3.34
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
1,6-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823350
1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854349
6-chloro-2-methyl-3-oxo-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-4H-1,4-benzoxazine-2-carboxamide
CID 75796446
1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19271197
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19535833
1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19276292
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19523453
2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19516039
7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
N-[1-(3-pyrrol-1-ylphenyl)ethyl]methanesulfonamide
CID 19581833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 19479372) is 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]ncc1Cl)c1cccc(-n2cccc2)c1.
What is the InChIKey of 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DBJHNFMXCBPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-11(19-16(22)15-14(17)10-18-20-15)12-5-4-6-13(9-12)21-7-2-3-8-21/h2-11H,1H3,(H,18,20)(H,19,22).
What are the key properties of 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).