[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine

C12H18F3N3 — CID 122532995

IUPAC[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)cc1CN
InChIInChI=1S/C12H18F3N3/c1-8-9(6-16)7-18(17-8)11-4-2-10(3-5-11)12(13,14)15/h7,10-11H,2-6,16H2,1H3
InChIKeyKIGWBKNAXKNGNV-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.94
Rot. Bonds2

About [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine

[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine (PubChem CID 122532995) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
PubChem CID122532995
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)cc1CN
InChIInChI=1S/C12H18F3N3/c1-8-9(6-16)7-18(17-8)11-4-2-10(3-5-11)12(13,14)15/h7,10-11H,2-6,16H2,1H3
InChIKeyKIGWBKNAXKNGNV-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine (CID 122532995) is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine is Cc1nn(C2CCC(C(F)(F)F)CC2)cc1CN.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
The InChIKey is KIGWBKNAXKNGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-9(6-16)7-18(17-8)11-4-2-10(3-5-11)12(13,14)15/h7,10-11H,2-6,16H2,1H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine?
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine has a molecular weight of 261.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 122532995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).