4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H21N5O2 — CID 166254341

IUPAC4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2c(C)nc[nH]c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O2/c1-12(22-19(26)17-14(3)20-11-21-18(17)25)9-16-10-13(2)23-24(16)15-7-5-4-6-8-15/h4-8,10-12H,9H2,1-3H3,(H,22,26)(H,20,21,25)
InChIKeyAUDHLDOYNLACGG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.93
Rot. Bonds5

About 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide

4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 166254341) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID166254341
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2c(C)nc[nH]c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O2/c1-12(22-19(26)17-14(3)20-11-21-18(17)25)9-16-10-13(2)23-24(16)15-7-5-4-6-8-15/h4-8,10-12H,9H2,1-3H3,(H,22,26)(H,20,21,25)
InChIKeyAUDHLDOYNLACGG-UHFFFAOYSA-N
XLogP1.93
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 166254341) is 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc(CC(C)NC(=O)c2c(C)nc[nH]c2=O)n(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AUDHLDOYNLACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(22-19(26)17-14(3)20-11-21-18(17)25)9-16-10-13(2)23-24(16)15-7-5-4-6-8-15/h4-8,10-12H,9H2,1-3H3,(H,22,26)(H,20,21,25).
What are the key properties of 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166254341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).