N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide

C12H17F2N3O — CID 156523657

IUPACN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide
SMILESCC1CCC(n2cc(NC=O)c(C(F)F)n2)CC1
InChIInChI=1S/C12H17F2N3O/c1-8-2-4-9(5-3-8)17-6-10(15-7-18)11(16-17)12(13)14/h6-9,12H,2-5H2,1H3,(H,15,18)
InChIKeyHDPVQQQRGLBXGG-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.14
Rot. Bonds4

About N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide

N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide (PubChem CID 156523657) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide
PubChem CID156523657
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide
SMILESCC1CCC(n2cc(NC=O)c(C(F)F)n2)CC1
InChIInChI=1S/C12H17F2N3O/c1-8-2-4-9(5-3-8)17-6-10(15-7-18)11(16-17)12(13)14/h6-9,12H,2-5H2,1H3,(H,15,18)
InChIKeyHDPVQQQRGLBXGG-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide (CID 156523657) is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide is CC1CCC(n2cc(NC=O)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide?
The InChIKey is HDPVQQQRGLBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8-2-4-9(5-3-8)17-6-10(15-7-18)11(16-17)12(13)14/h6-9,12H,2-5H2,1H3,(H,15,18).
What are the key properties of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide?
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide has a molecular weight of 257.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide is sourced from PubChem (CID 156523657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).