N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide

C12H12ClN3O — CID 60786137

IUPACN-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8(10-4-2-3-5-11(10)13)16-12(17)9-6-14-15-7-9/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyDCMFEVLTZLHUBY-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 60786137) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID60786137
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)c1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-8(10-4-2-3-5-11(10)13)16-12(17)9-6-14-15-7-9/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyDCMFEVLTZLHUBY-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

5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 60786137) is N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DCMFEVLTZLHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8(10-4-2-3-5-11(10)13)16-12(17)9-6-14-15-7-9/h2-8H,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-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 N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60786137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).