N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

C10H15N3O2 — CID 20785160

IUPACN-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c14-10(9-6-12-13-7-9)11-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H,11,14)(H,12,13)
InChIKeyWPZVVIJNFYDQKZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.57
Rot. Bonds3

About N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 20785160) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID20785160
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c14-10(9-6-12-13-7-9)11-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H,11,14)(H,12,13)
InChIKeyWPZVVIJNFYDQKZ-UHFFFAOYSA-N
XLogP0.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-ylmethyl)-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

Related Compounds

N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 77086728
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
1,5-anhydro-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-[(1H-pyrazol-4-ylcarbonyl)amino]-D-erythro-pentitol
CID 91780194
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-{2-[4-(Hydroxymethyl)piperidin-1-YL]ethyl}-1H-pyrazole-4-carboxamide
CID 91834316
2-(1H-pyrazol-4-ylcarbonyl)-9-oxa-2-azaspiro[5.5]undecane
CID 118771949
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
Morpholino(1H-pyrazol-4-yl)methanone
CID 20784942
N-butyl-1H-pyrazole-4-carboxamide
CID 43532896
N-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 43565669
N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide
CID 43582032
N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43582314

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 20785160) is N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCC1CCOCC1)c1cn[nH]c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WPZVVIJNFYDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(9-6-12-13-7-9)11-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H,11,14)(H,12,13).
What are the key properties of N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 20785160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).