2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C13H18ClN5O — CID 5303558

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cnn(C(C)C)c2)c(C)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-8(2)18-6-11(5-15-18)16-12(20)7-19-10(4)13(14)9(3)17-19/h5-6,8H,7H2,1-4H3,(H,16,20)
InChIKeyWSGUDXZGBOGAQH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 5303558) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID5303558
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cnn(C(C)C)c2)c(C)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-8(2)18-6-11(5-15-18)16-12(20)7-19-10(4)13(14)9(3)17-19/h5-6,8H,7H2,1-4H3,(H,16,20)
InChIKeyWSGUDXZGBOGAQH-UHFFFAOYSA-N
XLogP2.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3,5-dimethyl-1-[(4-nitro-1H-pyrazol-1-yl)acetyl]-1H-pyrazole
CID 1258011
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[(4-methyl-1H-pyrazol-1-yl)methyl]pyrrolidin-1-yl}ethan-1-one
CID 56779421
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53621017
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778912
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092
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
1-(2-aminoethyl)-N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70721024
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(5-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 17021840
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}propanamide
CID 19584493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 5303558) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is Cc1nn(CC(=O)Nc2cnn(C(C)C)c2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is WSGUDXZGBOGAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(2)18-6-11(5-15-18)16-12(20)7-19-10(4)13(14)9(3)17-19/h5-6,8H,7H2,1-4H3,(H,16,20).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 5303558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).