(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone

C9H11N5O — CID 102802910

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cnnn1C
InChIInChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-12-14(8)3/h4-5H,1-3H3
InChIKeyRIBQFQYTDPZZET-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.09
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone

(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 102802910) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID102802910
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cnnn1C
InChIInChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-12-14(8)3/h4-5H,1-3H3
InChIKeyRIBQFQYTDPZZET-UHFFFAOYSA-N
XLogP0.09
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
CID 115806862
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
CID 130603525
(2-fluoro-4-methylphenyl)-(3-methyltriazol-4-yl)methanone
CID 115806795
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
3-methyltriazole-4-carbonyl chloride
CID 119095890
(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanone
CID 107967814
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
3-(1,3-dimethylpyrazole-4-carbonyl)-1-methylpyrazole-5-carbonitrile;ethane
CID 171529577
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone (CID 102802910) is (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone is Cc1nn(C)cc1C(=O)c1cnnn1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is RIBQFQYTDPZZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-12-14(8)3/h4-5H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone?
(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 102802910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).