(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone

C8H7ClN4O — CID 46221086

IUPAC(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone
SMILESCn1cc(Cl)c(C(=O)n2ccnc2)n1
InChIInChI=1S/C8H7ClN4O/c1-12-4-6(9)7(11-12)8(14)13-3-2-10-5-13/h2-5H,1H3
InChIKeyGVKUGNIFELZBDE-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.96
Rot. Bonds1

About (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone

(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone (PubChem CID 46221086) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone
PubChem CID46221086
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone
SMILESCn1cc(Cl)c(C(=O)n2ccnc2)n1
InChIInChI=1S/C8H7ClN4O/c1-12-4-6(9)7(11-12)8(14)13-3-2-10-5-13/h2-5H,1H3
InChIKeyGVKUGNIFELZBDE-UHFFFAOYSA-N
XLogP0.96
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone (CID 46221086) is (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone is Cn1cc(Cl)c(C(=O)n2ccnc2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone?
The InChIKey is GVKUGNIFELZBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-12-4-6(9)7(11-12)8(14)13-3-2-10-5-13/h2-5H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone?
(4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone has a molecular weight of 210.62 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 46221086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).