N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine

C15H13F6N3 — CID 10154812

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
SMILESFC(F)(F)c1cc(Nc2cc(C3CCC3)[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F6N3/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)22-13-7-12(23-24-13)8-2-1-3-8/h4-8H,1-3H2,(H2,22,23,24)
InChIKeyQVDBUAZHHAMIOE-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.46
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine

N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine (PubChem CID 10154812) has the molecular formula C15H13F6N3 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
PubChem CID10154812
Molecular FormulaC15H13F6N3
Molecular Weight349.28 g/mol
Exact Mass349.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
SMILESFC(F)(F)c1cc(Nc2cc(C3CCC3)[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F6N3/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)22-13-7-12(23-24-13)8-2-1-3-8/h4-8H,1-3H2,(H2,22,23,24)
InChIKeyQVDBUAZHHAMIOE-UHFFFAOYSA-N
XLogP5.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.28
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine (CID 10154812) is N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine is FC(F)(F)c1cc(Nc2cc(C3CCC3)[nH]n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine?
The InChIKey is QVDBUAZHHAMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)22-13-7-12(23-24-13)8-2-1-3-8/h4-8H,1-3H2,(H2,22,23,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine has a molecular weight of 349.28 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine is sourced from PubChem (CID 10154812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).