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

C10H13F2N3O — CID 121021903

IUPACN-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccn[nH]1
InChIInChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)14-9(16)8-3-6-13-15-8/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16)
InChIKeyJPMOHLNDPAAKFA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.72
Rot. Bonds2

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

N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 121021903) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID121021903
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccn[nH]1
InChIInChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)14-9(16)8-3-6-13-15-8/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16)
InChIKeyJPMOHLNDPAAKFA-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-5-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide (CID 121021903) is N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide is O=C(NC1CCC(F)(F)CC1)c1ccn[nH]1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JPMOHLNDPAAKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)14-9(16)8-3-6-13-15-8/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16).
What are the key properties of N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide?
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-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-5-carboxamide is sourced from PubChem (CID 121021903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).