N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C26H29N5O2 — CID 47089826

IUPACN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c3c2CCC3)cc1
InChIInChI=1S/C26H29N5O2/c1-17-9-11-19(12-10-17)31-22-8-4-5-20(22)24(29-31)26(33)28-21-6-2-3-7-23(21)30-15-13-18(14-16-30)25(27)32/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H2,27,32)(H,28,33)
InChIKeyYDTWSLNKRCIUHP-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 47089826) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID47089826
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c3c2CCC3)cc1
InChIInChI=1S/C26H29N5O2/c1-17-9-11-19(12-10-17)31-22-8-4-5-20(22)24(29-31)26(33)28-21-6-2-3-7-23(21)30-15-13-18(14-16-30)25(27)32/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H2,27,32)(H,28,33)
InChIKeyYDTWSLNKRCIUHP-UHFFFAOYSA-N
XLogP3.62
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17468069
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 120568710
1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37353093
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
N-(2-amino-5-methoxyphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119421474
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55896655
cis-(1R,3S)-3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678955
N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134042509
1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide
CID 56566760
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505
N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 47089826) is N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c3c2CCC3)cc1.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YDTWSLNKRCIUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17-9-11-19(12-10-17)31-22-8-4-5-20(22)24(29-31)26(33)28-21-6-2-3-7-23(21)30-15-13-18(14-16-30)25(27)32/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 47089826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).