methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate

C22H22N4O3 — CID 55846428

IUPACmethyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C22H22N4O3/c1-29-22(28)24-16-12-10-15(11-13-16)14-23-21(27)20-18-8-5-9-19(18)26(25-20)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,23,27)(H,24,28)
InChIKeySYMVSZSGBXSMBK-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.47
Rot. Bonds5

About methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate (PubChem CID 55846428) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
PubChem CID55846428
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C22H22N4O3/c1-29-22(28)24-16-12-10-15(11-13-16)14-23-21(27)20-18-8-5-9-19(18)26(25-20)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,23,27)(H,24,28)
InChIKeySYMVSZSGBXSMBK-UHFFFAOYSA-N
XLogP3.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate with MolForge

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Related Compounds

N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25376653
N-[(4-methylsulfonylphenyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 60511744
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55775483
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768386
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate (CID 55846428) is methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1.
What is the InChIKey of methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate?
The InChIKey is SYMVSZSGBXSMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-22(28)24-16-12-10-15(11-13-16)14-23-21(27)20-18-8-5-9-19(18)26(25-20)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55846428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).