N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide

C21H24N4O2 — CID 9113461

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)Nc2c(C)n[nH]c2C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-20(15(2)25-24-14)23-19(26)13-22-21(16-7-5-4-6-8-16)17-9-11-18(27-3)12-10-17/h4-12,21-22H,13H2,1-3H3,(H,23,26)(H,24,25)/t21-/m0/s1
InChIKeyGYWBVDZYFWUVTI-NRFANRHFSA-N
MW364.45 g/mol
LogP3.35
Rot. Bonds7

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9113461) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide
PubChem CID9113461
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)Nc2c(C)n[nH]c2C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-20(15(2)25-24-14)23-19(26)13-22-21(16-7-5-4-6-8-16)17-9-11-18(27-3)12-10-17/h4-12,21-22H,13H2,1-3H3,(H,23,26)(H,24,25)/t21-/m0/s1
InChIKeyGYWBVDZYFWUVTI-NRFANRHFSA-N
XLogP3.35
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41410548
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112786995
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide (CID 9113461) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide is COc1ccc([C@@H](NCC(=O)Nc2c(C)n[nH]c2C)c2ccccc2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is GYWBVDZYFWUVTI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-20(15(2)25-24-14)23-19(26)13-22-21(16-7-5-4-6-8-16)17-9-11-18(27-3)12-10-17/h4-12,21-22H,13H2,1-3H3,(H,23,26)(H,24,25)/t21-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9113461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).