2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C11H14ClN5O — CID 19330844

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H14ClN5O/c1-8-10(12)6-14-17(8)7-11(18)13-5-9-3-4-16(2)15-9/h3-4,6H,5,7H2,1-2H3,(H,13,18)
InChIKeyOAKRFHVBMJQHCM-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19330844) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19330844
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H14ClN5O/c1-8-10(12)6-14-17(8)7-11(18)13-5-9-3-4-16(2)15-9/h3-4,6H,5,7H2,1-2H3,(H,13,18)
InChIKeyOAKRFHVBMJQHCM-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

4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53621017
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70736557
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
N-[3-(4-chloropyrazolyl)propyl](1-methylpyrazol-5-yl)carboxamide
CID 4771036
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(5-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 17021840
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71844374
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 91797470
(2S)-1-ethyl-2-(2-ethylpyrazol-3-yl)imidazolidin-4-one
CID 129400294
N-methyl-2-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetamide
CID 132378598
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-pyrazolylpropan-1-one
CID 4770294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19330844) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide is Cc1c(Cl)cnn1CC(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OAKRFHVBMJQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-8-10(12)6-14-17(8)7-11(18)13-5-9-3-4-16(2)15-9/h3-4,6H,5,7H2,1-2H3,(H,13,18).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-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-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19330844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).