N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine

C15H21F4N3 — CID 123634679

IUPACN-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine
SMILESCC(=CN(C)CC1CCC(F)(F)CC1)c1cnn(C(F)F)c1
InChIInChI=1S/C15H21F4N3/c1-11(13-7-20-22(10-13)14(16)17)8-21(2)9-12-3-5-15(18,19)6-4-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyTYCDFXGNVAPRIR-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.40
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine

N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine (PubChem CID 123634679) has the molecular formula C15H21F4N3 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine
PubChem CID123634679
Molecular FormulaC15H21F4N3
Molecular Weight319.35 g/mol
Exact Mass319.17
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine
SMILESCC(=CN(C)CC1CCC(F)(F)CC1)c1cnn(C(F)F)c1
InChIInChI=1S/C15H21F4N3/c1-11(13-7-20-22(10-13)14(16)17)8-21(2)9-12-3-5-15(18,19)6-4-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyTYCDFXGNVAPRIR-UHFFFAOYSA-N
XLogP4.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine (CID 123634679) is N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine is CC(=CN(C)CC1CCC(F)(F)CC1)c1cnn(C(F)F)c1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine?
The InChIKey is TYCDFXGNVAPRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N3/c1-11(13-7-20-22(10-13)14(16)17)8-21(2)9-12-3-5-15(18,19)6-4-12/h7-8,10,12,14H,3-6,9H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine?
N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine has a molecular weight of 319.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-2-[1-(difluoromethyl)pyrazol-4-yl]-N-methylprop-1-en-1-amine is sourced from PubChem (CID 123634679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).