3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine

C18H31F2N5 — CID 175621496

IUPAC3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine
SMILESCCN1CCN(CC2CCC(n3cc(NC)c(C(F)F)n3)CC2)CC1
InChIInChI=1S/C18H31F2N5/c1-3-23-8-10-24(11-9-23)12-14-4-6-15(7-5-14)25-13-16(21-2)17(22-25)18(19)20/h13-15,18,21H,3-12H2,1-2H3
InChIKeyZIUZZSAZOFOKMQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.23
Rot. Bonds6

About 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine

3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine (PubChem CID 175621496) has the molecular formula C18H31F2N5 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine
PubChem CID175621496
Molecular FormulaC18H31F2N5
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine
SMILESCCN1CCN(CC2CCC(n3cc(NC)c(C(F)F)n3)CC2)CC1
InChIInChI=1S/C18H31F2N5/c1-3-23-8-10-24(11-9-23)12-14-4-6-15(7-5-14)25-13-16(21-2)17(22-25)18(19)20/h13-15,18,21H,3-12H2,1-2H3
InChIKeyZIUZZSAZOFOKMQ-UHFFFAOYSA-N
XLogP3.23
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
1-(4,4-Difluorocyclohexyl)-3-methylpyrazol-4-amine
CID 69281478
5-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281538
3-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281539
1-(3-Fluoro-1-methylpiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281655
1-(1-Ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281656
1-[1-(2-Fluoroethyl)-4-piperidinyl]-3-methyl-1H-pyrazol-4-amine
CID 87765467
1-[1-(2-Fluoroethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 89610222
1-(3-Fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 90103792
1-(4,4-Difluorocyclohexyl)-5-methylpyrazol-4-amine
CID 90103962
1-(3-Fluoro-1-methylpiperidin-4-yl)-5-methylpyrazol-4-amine
CID 118280719

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine (CID 175621496) is 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine is CCN1CCN(CC2CCC(n3cc(NC)c(C(F)F)n3)CC2)CC1.
What is the InChIKey of 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine?
The InChIKey is ZIUZZSAZOFOKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2N5/c1-3-23-8-10-24(11-9-23)12-14-4-6-15(7-5-14)25-13-16(21-2)17(22-25)18(19)20/h13-15,18,21H,3-12H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine?
3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine has a molecular weight of 355.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 175621496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).