N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide

C13H16N4O — CID 63085264

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1
InChIInChI=1S/C13H16N4O/c1-2-17(13(18)11-8-15-16-9-11)12-5-3-10(7-14)4-6-12/h3-6,8-9H,2,7,14H2,1H3,(H,15,16)
InChIKeyXUQFJXKAJJYIOV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.54
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 63085264) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
PubChem CID63085264
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1
InChIInChI=1S/C13H16N4O/c1-2-17(13(18)11-8-15-16-9-11)12-5-3-10(7-14)4-6-12/h3-6,8-9H,2,7,14H2,1H3,(H,15,16)
InChIKeyXUQFJXKAJJYIOV-UHFFFAOYSA-N
XLogP1.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213
N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
CID 104668912
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 43275637
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 122142637

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide (CID 63085264) is N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1cn[nH]c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is XUQFJXKAJJYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17(13(18)11-8-15-16-9-11)12-5-3-10(7-14)4-6-12/h3-6,8-9H,2,7,14H2,1H3,(H,15,16).
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63085264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).