5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C12H18ClN3O — CID 9115827

IUPAC5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NC1CC1
InChIInChI=1S/C12H18ClN3O/c1-7(2)6-16-11(13)10(8(3)15-16)12(17)14-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyZABXQEXGAZYMSJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 9115827) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID9115827
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NC1CC1
InChIInChI=1S/C12H18ClN3O/c1-7(2)6-16-11(13)10(8(3)15-16)12(17)14-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyZABXQEXGAZYMSJ-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1474979
5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24978919
ethyl 2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}acetate
CID 3716979
5-chloro-N-cyclohexyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17559327
5-chloro-N-cyclopentyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24687575
N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329181
5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 5015913
2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}acetic acid
CID 3777032
3-[[5-Chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 8025000
N-butan-2-yl-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 16265645
1-(5-Chloro-1,3-dimethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 29950290
5-chloro-1,3-dimethyl-N-[3-[methyl(methylsulfonyl)amino]propyl]pyrazole-4-carboxamide
CID 45817441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 9115827) is 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1nn(CC(C)C)c(Cl)c1C(=O)NC1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is ZABXQEXGAZYMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7(2)6-16-11(13)10(8(3)15-16)12(17)14-9-4-5-9/h7,9H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9115827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).