tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate

C28H31N5O3 — CID 142751380

IUPACtert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCc1ccc(-n2nc(C(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C28H31N5O3/c1-19-6-12-22(13-7-19)33-25(21-10-8-20(17-29)9-11-21)16-24(30-33)26(34)32-15-14-23(18-32)31(5)27(35)36-28(2,3)4/h6-13,16,23H,14-15,18H2,1-5H3/t23-/m0/s1
InChIKeyUTFGGZPHVQLSEX-QHCPKHFHSA-N
MW485.59 g/mol
LogP4.80
Rot. Bonds4

About tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 142751380) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID142751380
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Nametert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCc1ccc(-n2nc(C(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C28H31N5O3/c1-19-6-12-22(13-7-19)33-25(21-10-8-20(17-29)9-11-21)16-24(30-33)26(34)32-15-14-23(18-32)31(5)27(35)36-28(2,3)4/h6-13,16,23H,14-15,18H2,1-5H3/t23-/m0/s1
InChIKeyUTFGGZPHVQLSEX-QHCPKHFHSA-N
XLogP4.80
TPSA91.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 142544570
4-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 138473561
tert-butyl 3-[[[1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazol-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 118917307
tert-butyl (3S)-3-[[[1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazol-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 121289768
methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 118142192
[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid
CID 138473592
4-[1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(methylamino)piperidine-1-carbonyl]pyrazol-5-yl]benzonitrile
CID 175014437
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71862106
tert-butyl 3-[[4-(5-cyano-2-methylbenzimidazol-1-yl)benzoyl]-methylamino]pyrrolidine-1-carboxylate
CID 68737101
4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
CID 175014991

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate (CID 142751380) is tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate is Cc1ccc(-n2nc(C(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is UTFGGZPHVQLSEX-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-19-6-12-22(13-7-19)33-25(21-10-8-20(17-29)9-11-21)16-24(30-33)26(34)32-15-14-23(18-32)31(5)27(35)36-28(2,3)4/h6-13,16,23H,14-15,18H2,1-5H3/t23-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 485.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 142751380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).