3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

C21H24N4O2 — CID 70723555

IUPAC3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(Cc3ccncc3)CC(C)C)[nH]n2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)13-25(14-16-8-10-22-11-9-16)21(26)20-12-19(23-24-20)17-4-6-18(27-3)7-5-17/h4-12,15H,13-14H2,1-3H3,(H,23,24)
InChIKeyOFQSNXJQAKVOIL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70723555) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID70723555
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(Cc3ccncc3)CC(C)C)[nH]n2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)13-25(14-16-8-10-22-11-9-16)21(26)20-12-19(23-24-20)17-4-6-18(27-3)7-5-17/h4-12,15H,13-14H2,1-3H3,(H,23,24)
InChIKeyOFQSNXJQAKVOIL-UHFFFAOYSA-N
XLogP3.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 70723555) is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N(Cc3ccncc3)CC(C)C)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OFQSNXJQAKVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)13-25(14-16-8-10-22-11-9-16)21(26)20-12-19(23-24-20)17-4-6-18(27-3)7-5-17/h4-12,15H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70723555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).