5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

C19H20N4O2 — CID 39093834

IUPAC5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C19H20N4O2/c1-3-12-25-17-9-5-4-8-16(17)22-19(24)15-13-21-23(14(15)2)18-10-6-7-11-20-18/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyKTRBAFYDLHSXMR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds6

About 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 39093834) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID39093834
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C19H20N4O2/c1-3-12-25-17-9-5-4-8-16(17)22-19(24)15-13-21-23(14(15)2)18-10-6-7-11-20-18/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyKTRBAFYDLHSXMR-UHFFFAOYSA-N
XLogP3.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 154806253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 39093834) is 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is CCCOc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is KTRBAFYDLHSXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-12-25-17-9-5-4-8-16(17)22-19(24)15-13-21-23(14(15)2)18-10-6-7-11-20-18/h4-11,13H,3,12H2,1-2H3,(H,22,24).
What are the key properties of 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39093834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).