4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide

C19H20N4O3 — CID 166317144

IUPAC4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)Nn1ccccc1=O
InChIInChI=1S/C19H20N4O3/c1-14(2)13-26-16-12-23(15-8-4-3-5-9-15)20-18(16)19(25)21-22-11-7-6-10-17(22)24/h3-12,14H,13H2,1-2H3,(H,21,25)
InChIKeyAGTYWKYIMKTKGX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide

4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 166317144) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
PubChem CID166317144
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)Nn1ccccc1=O
InChIInChI=1S/C19H20N4O3/c1-14(2)13-26-16-12-23(15-8-4-3-5-9-15)20-18(16)19(25)21-22-11-7-6-10-17(22)24/h3-12,14H,13H2,1-2H3,(H,21,25)
InChIKeyAGTYWKYIMKTKGX-UHFFFAOYSA-N
XLogP2.45
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119571155
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119440303
2-[4-[[[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699002
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 71932265
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119492158
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119647294
5-methyl-1-[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122118295
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide (CID 166317144) is 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide is CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nn1ccccc1=O.
What is the InChIKey of 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is AGTYWKYIMKTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14(2)13-26-16-12-23(15-8-4-3-5-9-15)20-18(16)19(25)21-22-11-7-6-10-17(22)24/h3-12,14H,13H2,1-2H3,(H,21,25).
What are the key properties of 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide?
4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 166317144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).