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

C12H17N3O2 — CID 110388812

IUPACN-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H17N3O2/c16-12(13-7-8-3-2-6-17-8)11-9-4-1-5-10(9)14-15-11/h8H,1-7H2,(H,13,16)(H,14,15)
InChIKeyLAUTUCJXLZSNJE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.81
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388812) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388812
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H17N3O2/c16-12(13-7-8-3-2-6-17-8)11-9-4-1-5-10(9)14-15-11/h8H,1-7H2,(H,13,16)(H,14,15)
InChIKeyLAUTUCJXLZSNJE-UHFFFAOYSA-N
XLogP0.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874604
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
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
4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388812) is N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCC1CCCO1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LAUTUCJXLZSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(13-7-8-3-2-6-17-8)11-9-4-1-5-10(9)14-15-11/h8H,1-7H2,(H,13,16)(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).