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

C10H12N4O — CID 105100479

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCc1c(C(=O)c2ccnn2C)cnn1C
InChIInChI=1S/C10H12N4O/c1-7-8(6-12-13(7)2)10(15)9-4-5-11-14(9)3/h4-6H,1-3H3
InChIKeyOXXZWWKCRLVSFI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds2

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

(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 105100479) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID105100479
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCc1c(C(=O)c2ccnn2C)cnn1C
InChIInChI=1S/C10H12N4O/c1-7-8(6-12-13(7)2)10(15)9-4-5-11-14(9)3/h4-6H,1-3H3
InChIKeyOXXZWWKCRLVSFI-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 (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone (CID 105100479) is (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone is Cc1c(C(=O)c2ccnn2C)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is OXXZWWKCRLVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8(6-12-13(7)2)10(15)9-4-5-11-14(9)3/h4-6H,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-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 (1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 105100479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).