2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide

C21H24N4O3 — CID 90178108

IUPAC2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide
SMILESCOc1cccc(NC(C)(C)C(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C21H24N4O3/c1-21(2,25-16-6-5-7-17(10-16)27-3)20(26)24-15-8-9-18(19(11-15)28-4)14-12-22-23-13-14/h5-13,25H,1-4H3,(H,22,23)(H,24,26)
InChIKeyKLGBACIXNWEYDP-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.92
Rot. Bonds7

About 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide

2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide (PubChem CID 90178108) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide
PubChem CID90178108
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide
SMILESCOc1cccc(NC(C)(C)C(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C21H24N4O3/c1-21(2,25-16-6-5-7-17(10-16)27-3)20(26)24-15-8-9-18(19(11-15)28-4)14-12-22-23-13-14/h5-13,25H,1-4H3,(H,22,23)(H,24,26)
InChIKeyKLGBACIXNWEYDP-UHFFFAOYSA-N
XLogP3.92
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 90178158
2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 118625559
6-fluoro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571682
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
6-chloro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571731
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide (CID 90178108) is 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide is COc1cccc(NC(C)(C)C(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide?
The InChIKey is KLGBACIXNWEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,25-16-6-5-7-17(10-16)27-3)20(26)24-15-8-9-18(19(11-15)28-4)14-12-22-23-13-14/h5-13,25H,1-4H3,(H,22,23)(H,24,26).
What are the key properties of 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide?
2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide has a molecular weight of 380.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 90178108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).