(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C10H12N4O — CID 676324

IUPAC(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cc(C)[nH]n2)n1
InChIInChI=1S/C10H12N4O/c1-6-5-9(12-11-6)10(15)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12)
InChIKeyWWTFEUHLMJUTAN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.22
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 676324) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID676324
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cc(C)[nH]n2)n1
InChIInChI=1S/C10H12N4O/c1-6-5-9(12-11-6)10(15)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12)
InChIKeyWWTFEUHLMJUTAN-UHFFFAOYSA-N
XLogP1.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 676324) is (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C)n(C(=O)c2cc(C)[nH]n2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is WWTFEUHLMJUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-5-9(12-11-6)10(15)14-8(3)4-7(2)13-14/h4-5H,1-3H3,(H,11,12).
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 676324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).