(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone

C9H8N4O — CID 63960953

IUPAC(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
SMILESCn1nccc1C(=O)c1ncccn1
InChIInChI=1S/C9H8N4O/c1-13-7(3-6-12-13)8(14)9-10-4-2-5-11-9/h2-6H,1H3
InChIKeyXQTYWZYVKSNQRG-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.44
Rot. Bonds2

About (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone

(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone (PubChem CID 63960953) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
PubChem CID63960953
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
SMILESCn1nccc1C(=O)c1ncccn1
InChIInChI=1S/C9H8N4O/c1-13-7(3-6-12-13)8(14)9-10-4-2-5-11-9/h2-6H,1H3
InChIKeyXQTYWZYVKSNQRG-UHFFFAOYSA-N
XLogP0.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(6-amino-2-pyridinyl)-(2-methylpyrazol-3-yl)methanone
CID 130877788
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 114972600
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105100351
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone (CID 63960953) is (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone is Cn1nccc1C(=O)c1ncccn1.
What is the InChIKey of (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone?
The InChIKey is XQTYWZYVKSNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-13-7(3-6-12-13)8(14)9-10-4-2-5-11-9/h2-6H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone?
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone has a molecular weight of 188.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 63960953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).