N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide

C13H16N4O2 — CID 63755308

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccn[nH]2)cc1CN
InChIInChI=1S/C13H16N4O2/c1-2-19-12-4-3-10(7-9(12)8-14)16-13(18)11-5-6-15-17-11/h3-7H,2,8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyMWLPGFJPHHELMB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.52
Rot. Bonds5

About N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide

N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63755308) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
PubChem CID63755308
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccn[nH]2)cc1CN
InChIInChI=1S/C13H16N4O2/c1-2-19-12-4-3-10(7-9(12)8-14)16-13(18)11-5-6-15-17-11/h3-7H,2,8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyMWLPGFJPHHELMB-UHFFFAOYSA-N
XLogP1.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-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-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide (CID 63755308) is N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide is CCOc1ccc(NC(=O)c2ccn[nH]2)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MWLPGFJPHHELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-12-4-3-10(7-9(12)8-14)16-13(18)11-5-6-15-17-11/h3-7H,2,8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide?
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63755308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).