2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile

C14H10F3N5 — CID 167805077

IUPAC2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile
SMILESCc1[nH]nc2ccc(-c3c(C(F)(F)F)nn(C)c3C#N)cc12
InChIInChI=1S/C14H10F3N5/c1-7-9-5-8(3-4-10(9)20-19-7)12-11(6-18)22(2)21-13(12)14(15,16)17/h3-5H,1-2H3,(H,19,20)
InChIKeyBNBFOGXNTWQCAW-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.16
Rot. Bonds1

About 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile

2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile (PubChem CID 167805077) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile
PubChem CID167805077
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile
SMILESCc1[nH]nc2ccc(-c3c(C(F)(F)F)nn(C)c3C#N)cc12
InChIInChI=1S/C14H10F3N5/c1-7-9-5-8(3-4-10(9)20-19-7)12-11(6-18)22(2)21-13(12)14(15,16)17/h3-5H,1-2H3,(H,19,20)
InChIKeyBNBFOGXNTWQCAW-UHFFFAOYSA-N
XLogP3.16
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The IUPAC name of 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile (CID 167805077) is 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile is Cc1[nH]nc2ccc(-c3c(C(F)(F)F)nn(C)c3C#N)cc12.
What is the InChIKey of 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The InChIKey is BNBFOGXNTWQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c1-7-9-5-8(3-4-10(9)20-19-7)12-11(6-18)22(2)21-13(12)14(15,16)17/h3-5H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile?
2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile has a molecular weight of 305.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-2H-indazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 167805077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).