5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide

C15H21F2N3O — CID 136547209

IUPAC5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(C(F)F)CC2)cc1C1CC1
InChIInChI=1S/C15H21F2N3O/c1-20-13(9-2-3-9)8-12(19-20)15(21)18-11-6-4-10(5-7-11)14(16)17/h8-11,14H,2-7H2,1H3,(H,18,21)
InChIKeyKJEMWPSMJFDXRK-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.85
Rot. Bonds4

About 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide

5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide (PubChem CID 136547209) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
PubChem CID136547209
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(C(F)F)CC2)cc1C1CC1
InChIInChI=1S/C15H21F2N3O/c1-20-13(9-2-3-9)8-12(19-20)15(21)18-11-6-4-10(5-7-11)14(16)17/h8-11,14H,2-7H2,1H3,(H,18,21)
InChIKeyKJEMWPSMJFDXRK-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LmCPB-IN-1
CID 145974244
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
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N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
3-(tert-butyl)-N-cyclopropyl-1-(4-fluorobenzyl)-1H-pyrazole-5-carboxamide
CID 2809850
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
N-cyclopropyl-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 45497172
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide (CID 136547209) is 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCC(C(F)F)CC2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KJEMWPSMJFDXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-20-13(9-2-3-9)8-12(19-20)15(21)18-11-6-4-10(5-7-11)14(16)17/h8-11,14H,2-7H2,1H3,(H,18,21).
What are the key properties of 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136547209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).