1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

C12H18F3N3 — CID 104955807

IUPAC1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8-11(7-18(2)17-8)16-10-5-3-9(4-6-10)12(13,14)15/h7,9-10,16H,3-6H2,1-2H3
InChIKeyTYHQUASLZQPSDO-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 104955807) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
PubChem CID104955807
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8-11(7-18(2)17-8)16-10-5-3-9(4-6-10)12(13,14)15/h7,9-10,16H,3-6H2,1-2H3
InChIKeyTYHQUASLZQPSDO-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (CID 104955807) is 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is Cc1nn(C)cc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is TYHQUASLZQPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-11(7-18(2)17-8)16-10-5-3-9(4-6-10)12(13,14)15/h7,9-10,16H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 104955807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).