2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

C10H14F3N3 — CID 64754078

IUPAC2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESNc1ccnn1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-1-3-8(4-2-7)16-9(14)5-6-15-16/h5-8H,1-4,14H2
InChIKeyZWRVWZGGMBTEOP-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.76
Rot. Bonds1

About 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (PubChem CID 64754078) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
PubChem CID64754078
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESNc1ccnn1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-1-3-8(4-2-7)16-9(14)5-6-15-16/h5-8H,1-4,14H2
InChIKeyZWRVWZGGMBTEOP-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (CID 64754078) is 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is Nc1ccnn1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The InChIKey is ZWRVWZGGMBTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)7-1-3-8(4-2-7)16-9(14)5-6-15-16/h5-8H,1-4,14H2.
What are the key properties of 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine has a molecular weight of 233.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 64754078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).