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

C14H20F2N4O — CID 118433076

IUPAC5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1[C@@H]1C[C@H]1N
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)/t9-,10-/m1/s1
InChIKeyAWIUIKQSXIHYSJ-NXEZZACHSA-N
MW298.34 g/mol
LogP1.54
Rot. Bonds3

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

5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118433076) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID118433076
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1[C@@H]1C[C@H]1N
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)/t9-,10-/m1/s1
InChIKeyAWIUIKQSXIHYSJ-NXEZZACHSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (CID 118433076) is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCC(F)(F)CC2)cc1[C@@H]1C[C@H]1N.
What is the InChIKey of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AWIUIKQSXIHYSJ-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
5-[(1R,2R)-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-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118433076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).