N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine

C12H17F2N3 — CID 154947834

IUPACN-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(F)F)C1CCCCC1
InChIInChI=1S/C12H17F2N3/c1-8(9-5-3-2-4-6-9)16-10-7-15-17-11(10)12(13)14/h7,9,12,16H,1-6H2,(H,15,17)
InChIKeyYXWWIGAJFYEXPQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.85
Rot. Bonds4

About N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine

N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine (PubChem CID 154947834) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
PubChem CID154947834
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(F)F)C1CCCCC1
InChIInChI=1S/C12H17F2N3/c1-8(9-5-3-2-4-6-9)16-10-7-15-17-11(10)12(13)14/h7,9,12,16H,1-6H2,(H,15,17)
InChIKeyYXWWIGAJFYEXPQ-UHFFFAOYSA-N
XLogP3.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 139539367
3-(Difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine
CID 162349101
5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-amine
CID 165977168
3-(Difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-amine
CID 175624874
N-(1H-pyrazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730467
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730749
N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747488
1,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 102613497
1,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 102804628
1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 104955807
N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine
CID 154947789
5-methyl-N-(4-methylcyclohexyl)-1H-pyrazol-4-amine
CID 83484335

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine (CID 154947834) is N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine is C=C(Nc1cn[nH]c1C(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?
The InChIKey is YXWWIGAJFYEXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8(9-5-3-2-4-6-9)16-10-7-15-17-11(10)12(13)14/h7,9,12,16H,1-6H2,(H,15,17).
What are the key properties of N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine?
N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 241.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 154947834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).