N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide

C21H24N4O2 — CID 70732597

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CN(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H24N4O2/c1-23(18-8-5-4-6-9-18)16-21(26)24(2)14-17-13-22-25(15-17)19-10-7-11-20(12-19)27-3/h4-13,15H,14,16H2,1-3H3
InChIKeyFXWPHEHVNPDWJM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.98
Rot. Bonds7

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide (PubChem CID 70732597) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
PubChem CID70732597
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CN(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H24N4O2/c1-23(18-8-5-4-6-9-18)16-21(26)24(2)14-17-13-22-25(15-17)19-10-7-11-20(12-19)27-3/h4-13,15H,14,16H2,1-3H3
InChIKeyFXWPHEHVNPDWJM-UHFFFAOYSA-N
XLogP2.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
CID 70731822
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide (CID 70732597) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide is COc1cccc(-n2cc(CN(C)C(=O)CN(C)c3ccccc3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide?
The InChIKey is FXWPHEHVNPDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23(18-8-5-4-6-9-18)16-21(26)24(2)14-17-13-22-25(15-17)19-10-7-11-20(12-19)27-3/h4-13,15H,14,16H2,1-3H3.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide is sourced from PubChem (CID 70732597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).