2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C15H22ClN5O — CID 19282365

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C(C)C(=O)NCc2c(C)nn(C)c2C)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-8-13(10(3)20(6)18-8)7-17-15(22)12(5)21-11(4)14(16)9(2)19-21/h12H,7H2,1-6H3,(H,17,22)
InChIKeyWFLNFIWXEBHQFW-UHFFFAOYSA-N
MW323.83 g/mol
LogP2.38
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 19282365) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID19282365
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C(C)C(=O)NCc2c(C)nn(C)c2C)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-8-13(10(3)20(6)18-8)7-17-15(22)12(5)21-11(4)14(16)9(2)19-21/h12H,7H2,1-6H3,(H,17,22)
InChIKeyWFLNFIWXEBHQFW-UHFFFAOYSA-N
XLogP2.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
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2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
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2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-cyclohexylacetamide
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2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 72141615
2-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-ethylacetamide
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2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
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4-chloro-1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,5-dimethyl-1H-pyrazole
CID 15943587
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
CID 71938717
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
N~1~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-methyl-L-alaninamide
CID 91838299
2-[4-Chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]-N~1~-methyl-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 19282365) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C(C)C(=O)NCc2c(C)nn(C)c2C)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is WFLNFIWXEBHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-8-13(10(3)20(6)18-8)7-17-15(22)12(5)21-11(4)14(16)9(2)19-21/h12H,7H2,1-6H3,(H,17,22).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 323.83 g/mol, XLogP of 2.38, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19282365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).