N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide

C15H20N4O — CID 119438262

IUPACN-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C15H20N4O/c1-4-16-10-12-6-5-7-13(9-12)17-15(20)14-8-11(2)19(3)18-14/h5-9,16H,4,10H2,1-3H3,(H,17,20)
InChIKeyCHCVRGZEYHNOBV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide

N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 119438262) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID119438262
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C15H20N4O/c1-4-16-10-12-6-5-7-13(9-12)17-15(20)14-8-11(2)19(3)18-14/h5-9,16H,4,10H2,1-3H3,(H,17,20)
InChIKeyCHCVRGZEYHNOBV-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 75447494
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 120538133
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 119438538
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 119438318
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 119438262) is N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide is CCNCc1cccc(NC(=O)c2cc(C)n(C)n2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CHCVRGZEYHNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-10-12-6-5-7-13(9-12)17-15(20)14-8-11(2)19(3)18-14/h5-9,16H,4,10H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 119438262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).