N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide

C22H23FN4O3 — CID 97068333

IUPACN-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-12-20(27(2)26-14)25-22(29)21(28)24-19(13-15-4-8-17(23)9-5-15)16-6-10-18(30-3)11-7-16/h4-12,19H,13H2,1-3H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyQQKPWVUTAPHMKY-IBGZPJMESA-N
MW410.45 g/mol
LogP2.91
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide

N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 97068333) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID97068333
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-12-20(27(2)26-14)25-22(29)21(28)24-19(13-15-4-8-17(23)9-5-15)16-6-10-18(30-3)11-7-16/h4-12,19H,13H2,1-3H3,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyQQKPWVUTAPHMKY-IBGZPJMESA-N
XLogP2.91
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
CID 95597018
methyl (2R)-2-[[(2,5-dimethylpyrazol-3-yl)carbamoylamino]methyl]-3-(4-fluorophenyl)propanoate
CID 95047907
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94174620
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide (CID 97068333) is N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide is COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is QQKPWVUTAPHMKY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-12-20(27(2)26-14)25-22(29)21(28)24-19(13-15-4-8-17(23)9-5-15)16-6-10-18(30-3)11-7-16/h4-12,19H,13H2,1-3H3,(H,24,28)(H,25,29)/t19-/m0/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 410.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 97068333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).