(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone

C9H11N5O — CID 130603519

IUPAC(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(C)n2)n(C)n1
InChIInChI=1S/C9H11N5O/c1-6-4-8(13(2)11-6)9(15)7-5-10-14(3)12-7/h4-5H,1-3H3
InChIKeyWRWGXEGLYUMKGI-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.09
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone

(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 130603519) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID130603519
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(C)n2)n(C)n1
InChIInChI=1S/C9H11N5O/c1-6-4-8(13(2)11-6)9(15)7-5-10-14(3)12-7/h4-5H,1-3H3
InChIKeyWRWGXEGLYUMKGI-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

(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
CID 105082301
(2,5-dimethylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130964926
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
CID 130603525
(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130521494
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
furan-3-yl-(2-methyltriazol-4-yl)methanone
CID 130521392
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
CID 130602508

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone (CID 130603519) is (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone is Cc1cc(C(=O)c2cnn(C)n2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is WRWGXEGLYUMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-4-8(13(2)11-6)9(15)7-5-10-14(3)12-7/h4-5H,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(2-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 (2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130603519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).