N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

C16H23F2N5 — CID 75503488

IUPACN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCn1cc(CNc2cnn(CC(F)F)c2)c(C2CCCCC2)n1
InChIInChI=1S/C16H23F2N5/c1-22-9-13(16(21-22)12-5-3-2-4-6-12)7-19-14-8-20-23(10-14)11-15(17)18/h8-10,12,15,19H,2-7,11H2,1H3
InChIKeyXULQXLCMNNUFAO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.54
Rot. Bonds6

About N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 75503488) has the molecular formula C16H23F2N5 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID75503488
Molecular FormulaC16H23F2N5
Molecular Weight323.39 g/mol
Exact Mass323.19
IUPAC NameN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCn1cc(CNc2cnn(CC(F)F)c2)c(C2CCCCC2)n1
InChIInChI=1S/C16H23F2N5/c1-22-9-13(16(21-22)12-5-3-2-4-6-12)7-19-14-8-20-23(10-14)11-15(17)18/h8-10,12,15,19H,2-7,11H2,1H3
InChIKeyXULQXLCMNNUFAO-UHFFFAOYSA-N
XLogP3.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 75503488) is N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is Cn1cc(CNc2cnn(CC(F)F)c2)c(C2CCCCC2)n1.
What is the InChIKey of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is XULQXLCMNNUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5/c1-22-9-13(16(21-22)12-5-3-2-4-6-12)7-19-14-8-20-23(10-14)11-15(17)18/h8-10,12,15,19H,2-7,11H2,1H3.
What are the key properties of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine has a molecular weight of 323.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 75503488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).