N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide

C14H15Cl2N3O — CID 19344988

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-2-5-13(20)17-14-12(16)9-19(18-14)8-10-6-3-4-7-11(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18,20)
InChIKeyMVBHHFQLYIUTGC-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.98
Rot. Bonds5

About N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide (PubChem CID 19344988) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
PubChem CID19344988
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-2-5-13(20)17-14-12(16)9-19(18-14)8-10-6-3-4-7-11(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18,20)
InChIKeyMVBHHFQLYIUTGC-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19397242
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172
(E)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 19287743

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide (CID 19344988) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide is CCCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
The InChIKey is MVBHHFQLYIUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-2-5-13(20)17-14-12(16)9-19(18-14)8-10-6-3-4-7-11(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18,20).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide has a molecular weight of 312.20 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 19344988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).