N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H24N4O2 — CID 75452688

IUPACN-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)C1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H24N4O2/c24-15-8-9-23(12-15)11-14-5-2-1-4-13(14)10-20-19(25)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,15,24H,3,6-12H2,(H,20,25)(H,21,22)
InChIKeyVNAIPTJEHHQHDB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.39
Rot. Bonds5

About N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 75452688) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID75452688
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)C1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H24N4O2/c24-15-8-9-23(12-15)11-14-5-2-1-4-13(14)10-20-19(25)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,15,24H,3,6-12H2,(H,20,25)(H,21,22)
InChIKeyVNAIPTJEHHQHDB-UHFFFAOYSA-N
XLogP1.39
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide 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

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 138380731
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124
4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885078
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 126804835
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 75452688) is N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCc1ccccc1CN1CCC(O)C1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VNAIPTJEHHQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-15-8-9-23(12-15)11-14-5-2-1-4-13(14)10-20-19(25)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,15,24H,3,6-12H2,(H,20,25)(H,21,22).
What are the key properties of N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 75452688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).