3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C21H22N4O2 — CID 42820244

IUPAC3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2nc(C3CC3)c(C(=O)NCc3ccccn3)c2C)cc1
InChIInChI=1S/C21H22N4O2/c1-14-19(21(26)23-13-16-5-3-4-12-22-16)20(15-6-7-15)24-25(14)17-8-10-18(27-2)11-9-17/h3-5,8-12,15H,6-7,13H2,1-2H3,(H,23,26)
InChIKeyWVIDKKZXVXUERT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.39
Rot. Bonds6

About 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42820244) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42820244
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2nc(C3CC3)c(C(=O)NCc3ccccn3)c2C)cc1
InChIInChI=1S/C21H22N4O2/c1-14-19(21(26)23-13-16-5-3-4-12-22-16)20(15-6-7-15)24-25(14)17-8-10-18(27-2)11-9-17/h3-5,8-12,15H,6-7,13H2,1-2H3,(H,23,26)
InChIKeyWVIDKKZXVXUERT-UHFFFAOYSA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 20920444
1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818134
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204274
3-cyclopropyl-5-methyl-1-(3-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820434
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
5-cyclopropyl-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 110372664
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42820244) is 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is COc1ccc(-n2nc(C3CC3)c(C(=O)NCc3ccccn3)c2C)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WVIDKKZXVXUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-19(21(26)23-13-16-5-3-4-12-22-16)20(15-6-7-15)24-25(14)17-8-10-18(27-2)11-9-17/h3-5,8-12,15H,6-7,13H2,1-2H3,(H,23,26).
What are the key properties of 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).