4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate

C15H15ClN3O3- — CID 7298444

IUPAC4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H16ClN3O3/c16-12-5-3-11(4-6-12)8-14(20)18-13-9-17-19(10-13)7-1-2-15(21)22/h3-6,9-10H,1-2,7-8H2,(H,18,20)(H,21,22)/p-1
InChIKeyHPKVFSCNSOEMBF-UHFFFAOYSA-M
MW320.76 g/mol
LogP1.25
Rot. Bonds7

About 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate

4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate (PubChem CID 7298444) has the molecular formula C15H15ClN3O3- and a molecular weight of 320.76 g/mol. Its IUPAC name is 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate.

Molecular Properties

Compound Name4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
PubChem CID7298444
Molecular FormulaC15H15ClN3O3-
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H16ClN3O3/c16-12-5-3-11(4-6-12)8-14(20)18-13-9-17-19(10-13)7-1-2-15(21)22/h3-6,9-10H,1-2,7-8H2,(H,18,20)(H,21,22)/p-1
InChIKeyHPKVFSCNSOEMBF-UHFFFAOYSA-M
XLogP1.25
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
CID 6987805
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
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
CID 100830593
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
3-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471099
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7309764
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19567995
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate?
The IUPAC name of 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate (CID 7298444) is 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate.
What is the SMILES notation for 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate?
The canonical SMILES for 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate is O=C([O-])CCCn1cc(NC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate?
The InChIKey is HPKVFSCNSOEMBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16ClN3O3/c16-12-5-3-11(4-6-12)8-14(20)18-13-9-17-19(10-13)7-1-2-15(21)22/h3-6,9-10H,1-2,7-8H2,(H,18,20)(H,21,22)/p-1.
What are the key properties of 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate?
4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate has a molecular weight of 320.76 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate is sourced from PubChem (CID 7298444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).