(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone

C10H12N4O — CID 105082301

IUPAC(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(C)c2)n(C)n1
InChIInChI=1S/C10H12N4O/c1-7-4-9(14(3)12-7)10(15)8-5-11-13(2)6-8/h4-6H,1-3H3
InChIKeyANVVDQHZZHAFMQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone

(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 105082301) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID105082301
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnn(C)c2)n(C)n1
InChIInChI=1S/C10H12N4O/c1-7-4-9(14(3)12-7)10(15)8-5-11-13(2)6-8/h4-6H,1-3H3
InChIKeyANVVDQHZZHAFMQ-UHFFFAOYSA-N
XLogP0.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone (CID 105082301) is (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone is Cc1cc(C(=O)c2cnn(C)c2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ANVVDQHZZHAFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-4-9(14(3)12-7)10(15)8-5-11-13(2)6-8/h4-6H,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 105082301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).