1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide

C11H16F2N4O — CID 130286856

IUPAC1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N4O/c1-15-10-8(9(14)18)6-16-17(10)7-2-4-11(12,13)5-3-7/h6-7,15H,2-5H2,1H3,(H2,14,18)
InChIKeyHNDKDLBUSYQAHW-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.77
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide

1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide (PubChem CID 130286856) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide
PubChem CID130286856
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N4O/c1-15-10-8(9(14)18)6-16-17(10)7-2-4-11(12,13)5-3-7/h6-7,15H,2-5H2,1H3,(H2,14,18)
InChIKeyHNDKDLBUSYQAHW-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide (CID 130286856) is 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide is CNc1c(C(N)=O)cnn1C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide?
The InChIKey is HNDKDLBUSYQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-15-10-8(9(14)18)6-16-17(10)7-2-4-11(12,13)5-3-7/h6-7,15H,2-5H2,1H3,(H2,14,18).
What are the key properties of 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide?
1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 130286856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).