1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one

C24H23N3O2 — CID 70220023

IUPAC1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc(-c2n[nH]c(C(=O)C(C)(C)c3ccc4ccccc4c3)c2N)cc1
InChIInChI=1S/C24H23N3O2/c1-24(2,18-11-8-15-6-4-5-7-17(15)14-18)23(28)22-20(25)21(26-27-22)16-9-12-19(29-3)13-10-16/h4-14H,25H2,1-3H3,(H,26,27)
InChIKeyGZITWGNDMPTCSE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.98
Rot. Bonds5

About 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one

1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one (PubChem CID 70220023) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one
PubChem CID70220023
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc(-c2n[nH]c(C(=O)C(C)(C)c3ccc4ccccc4c3)c2N)cc1
InChIInChI=1S/C24H23N3O2/c1-24(2,18-11-8-15-6-4-5-7-17(15)14-18)23(28)22-20(25)21(26-27-22)16-9-12-19(29-3)13-10-16/h4-14H,25H2,1-3H3,(H,26,27)
InChIKeyGZITWGNDMPTCSE-UHFFFAOYSA-N
XLogP4.98
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 135679597
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
CID 118529653
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 70955745
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 142259912
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 22260698

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one (CID 70220023) is 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one is COc1ccc(-c2n[nH]c(C(=O)C(C)(C)c3ccc4ccccc4c3)c2N)cc1.
What is the InChIKey of 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one?
The InChIKey is GZITWGNDMPTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-24(2,18-11-8-15-6-4-5-7-17(15)14-18)23(28)22-20(25)21(26-27-22)16-9-12-19(29-3)13-10-16/h4-14H,25H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one?
1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one has a molecular weight of 385.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 70220023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).