4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine

C9H13ClF3N3 — CID 116535092

IUPAC4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
SMILESCC(CCCC(F)(F)F)n1ncc(Cl)c1N
InChIInChI=1S/C9H13ClF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3
InChIKeyGMNMQFJTCPWAOO-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine

4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine (PubChem CID 116535092) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
PubChem CID116535092
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
SMILESCC(CCCC(F)(F)F)n1ncc(Cl)c1N
InChIInChI=1S/C9H13ClF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3
InChIKeyGMNMQFJTCPWAOO-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-chloro-1-(propan-2-yl)-1H-pyrazol-3-amine hydrochloride
CID 90484325
4-fluoro-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 177801217
4-Chloro-1-isopropyl-1H-pyrazol-3-amine
CID 19619842
4-Chloro-1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622832
1-Pentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70407205
4-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
CID 177155519
4-Chloro-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622831
4-Chloro-1-(difluoromethyl)-1H-pyrazol-3-amine
CID 64041253
4-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 64553760
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
4-Chloro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine (CID 116535092) is 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine is CC(CCCC(F)(F)F)n1ncc(Cl)c1N.
What is the InChIKey of 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The InChIKey is GMNMQFJTCPWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3.
What are the key properties of 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine has a molecular weight of 255.67 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 116535092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).