N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H9N5O2 — CID 136666408

IUPACN-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)[nH]cn2)n[nH]1
InChIInChI=1S/C9H9N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-8(15)11-4-10-6/h2-4H,1H3,(H,10,11,15)(H2,12,13,14,16)
InChIKeyOSDZOLMIMBXMQH-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.05
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666408) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666408
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)[nH]cn2)n[nH]1
InChIInChI=1S/C9H9N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-8(15)11-4-10-6/h2-4H,1H3,(H,10,11,15)(H2,12,13,14,16)
InChIKeyOSDZOLMIMBXMQH-UHFFFAOYSA-N
XLogP0.05
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666408) is N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(=O)[nH]cn2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is OSDZOLMIMBXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-8(15)11-4-10-6/h2-4H,1H3,(H,10,11,15)(H2,12,13,14,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).