N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C19H19N3O3 — CID 164610054

IUPACN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-7-3-13(4-8-16)11-15-12-18(22-21-15)19(23)20-14-5-9-17(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUWGMVBDPBIIWQH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.27
Rot. Bonds6

About N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 164610054) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID164610054
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-7-3-13(4-8-16)11-15-12-18(22-21-15)19(23)20-14-5-9-17(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUWGMVBDPBIIWQH-UHFFFAOYSA-N
XLogP3.27
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 164610054) is N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is COc1ccc(Cc2cc(C(=O)Nc3ccc(OC)cc3)n[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UWGMVBDPBIIWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-7-3-13(4-8-16)11-15-12-18(22-21-15)19(23)20-14-5-9-17(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164610054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).