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

C20H21N3O3 — CID 155753629

IUPACN,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-14(4-8-17)11-16-12-19(23-22-16)20(24)21-13-15-5-9-18(26-2)10-6-15/h3-10,12H,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBPEXHYRBOKOUMH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds7

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

N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 155753629) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID155753629
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-14(4-8-17)11-16-12-19(23-22-16)20(24)21-13-15-5-9-18(26-2)10-6-15/h3-10,12H,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBPEXHYRBOKOUMH-UHFFFAOYSA-N
XLogP2.95
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42197018
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834550
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663

Frequently Asked Questions

What is the IUPAC name of N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 155753629) is N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1.
What is the InChIKey of N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BPEXHYRBOKOUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-7-3-14(4-8-17)11-16-12-19(23-22-16)20(24)21-13-15-5-9-18(26-2)10-6-15/h3-10,12H,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155753629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).