5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

C15H9F3N4O — CID 10829333

IUPAC5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccco1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)9-3-5-10(6-4-9)20-14-11(8-19)13(21-22-14)12-2-1-7-23-12/h1-7H,(H2,20,21,22)
InChIKeyPUMMCPNSMXECDU-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.30
Rot. Bonds3

About 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (PubChem CID 10829333) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
PubChem CID10829333
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccco1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)9-3-5-10(6-4-9)20-14-11(8-19)13(21-22-14)12-2-1-7-23-12/h1-7H,(H2,20,21,22)
InChIKeyPUMMCPNSMXECDU-UHFFFAOYSA-N
XLogP4.30
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (CID 10829333) is 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The InChIKey is PUMMCPNSMXECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)9-3-5-10(6-4-9)20-14-11(8-19)13(21-22-14)12-2-1-7-23-12/h1-7H,(H2,20,21,22).
What are the key properties of 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile has a molecular weight of 318.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10829333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).