1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide

C17H19N5O2 — CID 146140908

IUPAC1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCC(C)Cc1coc(NC(=O)c2cc(-c3ccncc3)nn2C)n1
InChIInChI=1S/C17H19N5O2/c1-11(2)8-13-10-24-17(19-13)20-16(23)15-9-14(21-22(15)3)12-4-6-18-7-5-12/h4-7,9-11H,8H2,1-3H3,(H,19,20,23)
InChIKeySMNDVAKBBLISSV-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds5

About 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide

1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 146140908) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID146140908
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCC(C)Cc1coc(NC(=O)c2cc(-c3ccncc3)nn2C)n1
InChIInChI=1S/C17H19N5O2/c1-11(2)8-13-10-24-17(19-13)20-16(23)15-9-14(21-22(15)3)12-4-6-18-7-5-12/h4-7,9-11H,8H2,1-3H3,(H,19,20,23)
InChIKeySMNDVAKBBLISSV-UHFFFAOYSA-N
XLogP2.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide (CID 146140908) is 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide is CC(C)Cc1coc(NC(=O)c2cc(-c3ccncc3)nn2C)n1.
What is the InChIKey of 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is SMNDVAKBBLISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(2)8-13-10-24-17(19-13)20-16(23)15-9-14(21-22(15)3)12-4-6-18-7-5-12/h4-7,9-11H,8H2,1-3H3,(H,19,20,23).
What are the key properties of 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide?
1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylpropyl)-1,3-oxazol-2-yl]-3-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 146140908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).