N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide

C19H24N4O2 — CID 86819624

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC2(CCCCC2)O1)c1cn[nH]c1-c1ccncc1
InChIInChI=1S/C19H24N4O2/c24-18(16-13-22-23-17(16)14-5-10-20-11-6-14)21-12-15-4-9-19(25-15)7-2-1-3-8-19/h5-6,10-11,13,15H,1-4,7-9,12H2,(H,21,24)(H,22,23)
InChIKeyJIFYBEBQTMTYHY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.08
Rot. Bonds4

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide (PubChem CID 86819624) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
PubChem CID86819624
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC2(CCCCC2)O1)c1cn[nH]c1-c1ccncc1
InChIInChI=1S/C19H24N4O2/c24-18(16-13-22-23-17(16)14-5-10-20-11-6-14)21-12-15-4-9-19(25-15)7-2-1-3-8-19/h5-6,10-11,13,15H,1-4,7-9,12H2,(H,21,24)(H,22,23)
InChIKeyJIFYBEBQTMTYHY-UHFFFAOYSA-N
XLogP3.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide (CID 86819624) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide is O=C(NCC1CCC2(CCCCC2)O1)c1cn[nH]c1-c1ccncc1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The InChIKey is JIFYBEBQTMTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(16-13-22-23-17(16)14-5-10-20-11-6-14)21-12-15-4-9-19(25-15)7-2-1-3-8-19/h5-6,10-11,13,15H,1-4,7-9,12H2,(H,21,24)(H,22,23).
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86819624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).