3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

C13H17N5O2 — CID 126900520

IUPAC3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESN#Cc1cnn(C2CN(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C13H17N5O2/c14-4-10-5-16-18(7-10)11-8-17(9-11)13(19)15-6-12-2-1-3-20-12/h5,7,11-12H,1-3,6,8-9H2,(H,15,19)
InChIKeyHLRMFRDFIJCURW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.50
Rot. Bonds3

About 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 126900520) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
PubChem CID126900520
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESN#Cc1cnn(C2CN(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C13H17N5O2/c14-4-10-5-16-18(7-10)11-8-17(9-11)13(19)15-6-12-2-1-3-20-12/h5,7,11-12H,1-3,6,8-9H2,(H,15,19)
InChIKeyHLRMFRDFIJCURW-UHFFFAOYSA-N
XLogP0.50
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-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

1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 91923612
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765390
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 172905081
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947583
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (CID 126900520) is 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is N#Cc1cnn(C2CN(C(=O)NCC3CCCO3)C2)c1.
What is the InChIKey of 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is HLRMFRDFIJCURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-4-10-5-16-18(7-10)11-8-17(9-11)13(19)15-6-12-2-1-3-20-12/h5,7,11-12H,1-3,6,8-9H2,(H,15,19).
What are the key properties of 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126900520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).