(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

C14H14N6O — CID 843426

IUPAC(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)n1ncnc1N
InChIInChI=1S/C14H14N6O/c1-9-12(13(21)20-14(15)16-8-17-20)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVCDJFQFDAWDHEK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds2

About (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 843426) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
PubChem CID843426
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)n1ncnc1N
InChIInChI=1S/C14H14N6O/c1-9-12(13(21)20-14(15)16-8-17-20)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVCDJFQFDAWDHEK-UHFFFAOYSA-N
XLogP1.35
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 120817858
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 52753947

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (CID 843426) is (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)c(C)c1C(=O)n1ncnc1N.
What is the InChIKey of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is VCDJFQFDAWDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-12(13(21)20-14(15)16-8-17-20)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 843426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).