(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone

C11H12N4O — CID 105085414

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
SMILESCCc1cc(C(=O)c2cncnc2)n(C)n1
InChIInChI=1S/C11H12N4O/c1-3-9-4-10(15(2)14-9)11(16)8-5-12-7-13-6-8/h4-7H,3H2,1-2H3
InChIKeyKYFGKWAGJCTENN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.00
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone

(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone (PubChem CID 105085414) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
PubChem CID105085414
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
SMILESCCc1cc(C(=O)c2cncnc2)n(C)n1
InChIInChI=1S/C11H12N4O/c1-3-9-4-10(15(2)14-9)11(16)8-5-12-7-13-6-8/h4-7H,3H2,1-2H3
InChIKeyKYFGKWAGJCTENN-UHFFFAOYSA-N
XLogP1.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105134334
(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291305
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 106655994

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone (CID 105085414) is (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone is CCc1cc(C(=O)c2cncnc2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The InChIKey is KYFGKWAGJCTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-3-9-4-10(15(2)14-9)11(16)8-5-12-7-13-6-8/h4-7H,3H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone has a molecular weight of 216.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 105085414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).