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

C10H11ClN4O — CID 4769449

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2nn(C)c(C)c2Cl)c1
InChIInChI=1S/C10H11ClN4O/c1-6-4-12-15(5-6)10(16)9-8(11)7(2)14(3)13-9/h4-5H,1-3H3
InChIKeyPIRMAGDITSWNLP-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.58
Rot. Bonds1

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

(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 4769449) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone
PubChem CID4769449
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2nn(C)c(C)c2Cl)c1
InChIInChI=1S/C10H11ClN4O/c1-6-4-12-15(5-6)10(16)9-8(11)7(2)14(3)13-9/h4-5H,1-3H3
InChIKeyPIRMAGDITSWNLP-UHFFFAOYSA-N
XLogP1.58
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone (CID 4769449) is (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2nn(C)c(C)c2Cl)c1.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is PIRMAGDITSWNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-4-12-15(5-6)10(16)9-8(11)7(2)14(3)13-9/h4-5H,1-3H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 238.68 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 4769449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).