benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate

C23H24N4O4 — CID 68524620

IUPACbenzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(-c2cc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-18-11-9-17(10-12-18)19-14-21(26-25-19)24-22(28)20-8-5-13-27(20)23(29)31-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H2,24,25,26,28)
InChIKeyHZWXWYDMRCBOER-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.83
Rot. Bonds6

About benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 68524620) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID68524620
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Namebenzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(-c2cc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C23H24N4O4/c1-30-18-11-9-17(10-12-18)19-14-21(26-25-19)24-22(28)20-8-5-13-27(20)23(29)31-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H2,24,25,26,28)
InChIKeyHZWXWYDMRCBOER-UHFFFAOYSA-N
XLogP3.83
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[[4-[3-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533215
benzyl (2S)-2-[[4-(2,5-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582415
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 6958654
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582831
benzyl (2S)-2-[[4-[5-oxo-4-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-1,2,4-triazol-3-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533051
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 69025072

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 68524620) is benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(-c2cc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n[nH]2)cc1.
What is the InChIKey of benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is HZWXWYDMRCBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-18-11-9-17(10-12-18)19-14-21(26-25-19)24-22(28)20-8-5-13-27(20)23(29)31-15-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H2,24,25,26,28).
What are the key properties of benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 68524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).