(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone

C10H12N4O — CID 63079273

IUPAC(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccn[nH]1
InChIInChI=1S/C10H12N4O/c1-2-6-14-7-5-11-10(14)9(15)8-3-4-12-13-8/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyDIYRQSLRWJBOTD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds4

About (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone

(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 63079273) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID63079273
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccn[nH]1
InChIInChI=1S/C10H12N4O/c1-2-6-14-7-5-11-10(14)9(15)8-3-4-12-13-8/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyDIYRQSLRWJBOTD-UHFFFAOYSA-N
XLogP1.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone (CID 63079273) is (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone is CCCn1ccnc1C(=O)c1ccn[nH]1.
What is the InChIKey of (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is DIYRQSLRWJBOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-6-14-7-5-11-10(14)9(15)8-3-4-12-13-8/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 63079273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).