5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide

C10H14F2N4O — CID 123313367

IUPAC5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N4O/c11-10(12)3-1-6(2-4-10)15-9(17)7-5-14-16-8(7)13/h5-6H,1-4H2,(H,15,17)(H3,13,14,16)
InChIKeyJDVOPZAZHMVMER-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.30
Rot. Bonds2

About 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 123313367) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID123313367
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N4O/c11-10(12)3-1-6(2-4-10)15-9(17)7-5-14-16-8(7)13/h5-6H,1-4H2,(H,15,17)(H3,13,14,16)
InChIKeyJDVOPZAZHMVMER-UHFFFAOYSA-N
XLogP1.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide (CID 123313367) is 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JDVOPZAZHMVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12)3-1-6(2-4-10)15-9(17)7-5-14-16-8(7)13/h5-6H,1-4H2,(H,15,17)(H3,13,14,16).
What are the key properties of 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123313367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).