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

C10H13F2N3O — CID 122160170

IUPACN-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cn[nH]c1
InChIInChI=1S/C10H13F2N3O/c11-10(12)3-1-8(2-4-10)15-9(16)7-5-13-14-6-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyIATZNRHAIGTCAH-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.72
Rot. Bonds2

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

N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 122160170) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID122160170
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cn[nH]c1
InChIInChI=1S/C10H13F2N3O/c11-10(12)3-1-8(2-4-10)15-9(16)7-5-13-14-6-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyIATZNRHAIGTCAH-UHFFFAOYSA-N
XLogP1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide (CID 122160170) is N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cn[nH]c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IATZNRHAIGTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)3-1-8(2-4-10)15-9(16)7-5-13-14-6-7/h5-6,8H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122160170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).