5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

C14H20F2N4O — CID 118433073

IUPAC5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N
InChIInChI=1S/C14H20F2N4O/c1-20-12(9-6-10(9)17)7-11(19-20)13(21)18-8-2-4-14(15,16)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyAWIUIKQSXIHYSJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.54
Rot. Bonds3

About 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118433073) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID118433073
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N
InChIInChI=1S/C14H20F2N4O/c1-20-12(9-6-10(9)17)7-11(19-20)13(21)18-8-2-4-14(15,16)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,21)
InChIKeyAWIUIKQSXIHYSJ-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (CID 118433073) is 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N.
What is the InChIKey of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AWIUIKQSXIHYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-20-12(9-6-10(9)17)7-11(19-20)13(21)18-8-2-4-14(15,16)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,21).
What are the key properties of 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118433073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).