2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide

C14H13ClN4O — CID 19584578

IUPAC2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1
InChIInChI=1S/C14H13ClN4O/c1-2-13(19-9-11(15)8-17-19)14(20)18-12-6-4-3-5-10(12)7-16/h3-6,8-9,13H,2H2,1H3,(H,18,20)
InChIKeySVBIKNBHBXBGNV-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide

2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide (PubChem CID 19584578) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
PubChem CID19584578
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1
InChIInChI=1S/C14H13ClN4O/c1-2-13(19-9-11(15)8-17-19)14(20)18-12-6-4-3-5-10(12)7-16/h3-6,8-9,13H,2H2,1H3,(H,18,20)
InChIKeySVBIKNBHBXBGNV-UHFFFAOYSA-N
XLogP3.00
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-(2-nitrophenyl)butanamide
CID 19549253
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551552
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
2-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19285214
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide (CID 19584578) is 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide is CCC(C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide?
The InChIKey is SVBIKNBHBXBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-13(19-9-11(15)8-17-19)14(20)18-12-6-4-3-5-10(12)7-16/h3-6,8-9,13H,2H2,1H3,(H,18,20).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide?
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide has a molecular weight of 288.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide is sourced from PubChem (CID 19584578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).