(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone

C9H9ClN4O — CID 114641937

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H9ClN4O/c1-13-4-3-11-9(13)8(15)7-6(10)5-12-14(7)2/h3-5H,1-2H3
InChIKeyKWANRSFDDJAGPH-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.04
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone (PubChem CID 114641937) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
PubChem CID114641937
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H9ClN4O/c1-13-4-3-11-9(13)8(15)7-6(10)5-12-14(7)2/h3-5H,1-2H3
InChIKeyKWANRSFDDJAGPH-UHFFFAOYSA-N
XLogP1.04
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.04
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-5-yl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone (CID 114641937) is (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is KWANRSFDDJAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-13-4-3-11-9(13)8(15)7-6(10)5-12-14(7)2/h3-5H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 224.65 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 114641937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).