N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide

C14H16ClN3O — CID 19407768

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H16ClN3O/c1-2-3-14(19)17-13-8-16-18(10-13)9-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3,(H,17,19)
InChIKeyVRHLQJPSYWZGHN-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.32
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide (PubChem CID 19407768) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
PubChem CID19407768
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H16ClN3O/c1-2-3-14(19)17-13-8-16-18(10-13)9-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3,(H,17,19)
InChIKeyVRHLQJPSYWZGHN-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19567995
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566096

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide (CID 19407768) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide is CCCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide?
The InChIKey is VRHLQJPSYWZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-3-14(19)17-13-8-16-18(10-13)9-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3,(H,17,19).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide has a molecular weight of 277.75 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 19407768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).