4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

C10H13BrF3N3 — CID 64758416

IUPAC4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESNc1c(Br)cnn1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13BrF3N3/c11-8-5-16-17(9(8)15)7-3-1-2-6(4-7)10(12,13)14/h5-7H,1-4,15H2
InChIKeyYVBHCGIPVVQPNC-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.52
Rot. Bonds1

About 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758416) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758416
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESNc1c(Br)cnn1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13BrF3N3/c11-8-5-16-17(9(8)15)7-3-1-2-6(4-7)10(12,13)14/h5-7H,1-4,15H2
InChIKeyYVBHCGIPVVQPNC-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclohexyl-1H-pyrazol-3-amine
CID 61177536
4-bromo-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754280
1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754078
4-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754079
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
4-Iodo-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754480
2-[3-(Trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758208
4-Methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758209
4-Chloro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758415
4-Iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758621
4-Bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535093
4-Bromo-1-[(3,3-difluorocyclobutyl)methyl]-1H-pyrazol-3-amine
CID 131109808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758416) is 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Nc1c(Br)cnn1C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is YVBHCGIPVVQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c11-8-5-16-17(9(8)15)7-3-1-2-6(4-7)10(12,13)14/h5-7H,1-4,15H2.
What are the key properties of 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 312.13 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).