2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide

C11H14ClN5O — CID 19329071

IUPAC2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2cc(Cl)cn2)nn1C
InChIInChI=1S/C11H14ClN5O/c1-8-3-10(15-16(8)2)5-13-11(18)7-17-6-9(12)4-14-17/h3-4,6H,5,7H2,1-2H3,(H,13,18)
InChIKeyVUGAFPSUOOVIAB-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide

2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19329071) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
PubChem CID19329071
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cn2cc(Cl)cn2)nn1C
InChIInChI=1S/C11H14ClN5O/c1-8-3-10(15-16(8)2)5-13-11(18)7-17-6-9(12)4-14-17/h3-4,6H,5,7H2,1-2H3,(H,13,18)
InChIKeyVUGAFPSUOOVIAB-UHFFFAOYSA-N
XLogP0.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19328913
2-(4-chloropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393560
2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70744255
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19283452
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19333314
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329117
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19283450
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide (CID 19329071) is 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide is Cc1cc(CNC(=O)Cn2cc(Cl)cn2)nn1C.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is VUGAFPSUOOVIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-8-3-10(15-16(8)2)5-13-11(18)7-17-6-9(12)4-14-17/h3-4,6H,5,7H2,1-2H3,(H,13,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 267.72 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19329071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).