4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide

C12H20N4O2 — CID 62081323

IUPAC4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CCCCO2)c1N
InChIInChI=1S/C12H20N4O2/c1-2-9-10(13)11(16-15-9)12(17)14-7-8-5-3-4-6-18-8/h8H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyGTGFBMGVRABBSZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62081323) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62081323
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CCCCO2)c1N
InChIInChI=1S/C12H20N4O2/c1-2-9-10(13)11(16-15-9)12(17)14-7-8-5-3-4-6-18-8/h8H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyGTGFBMGVRABBSZ-UHFFFAOYSA-N
XLogP0.85
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-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

4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114398905
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792850
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
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)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 65117831
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62081323) is 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC2CCCCO2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GTGFBMGVRABBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-9-10(13)11(16-15-9)12(17)14-7-8-5-3-4-6-18-8/h8H,2-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).