N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H21N3O2 — CID 111483508

IUPACN-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-3-13(18,4-2)8-14-12(17)11-9-6-5-7-10(9)15-16-11/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAQRSWBBTAJXMSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 111483508) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID111483508
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-3-13(18,4-2)8-14-12(17)11-9-6-5-7-10(9)15-16-11/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAQRSWBBTAJXMSH-UHFFFAOYSA-N
XLogP1.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-2-hydroxybutyl)-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-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 872955
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 111483508) is N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCC(O)(CC)CNC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AQRSWBBTAJXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(18,4-2)8-14-12(17)11-9-6-5-7-10(9)15-16-11/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 111483508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).