N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide

C14H18N4O2 — CID 104592742

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nn(C)cc2CN)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-12-6-4-10(5-7-12)14(19)16-13-11(8-15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,19)
InChIKeyMBPQHPCONXYDEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds5

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide (PubChem CID 104592742) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
PubChem CID104592742
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nn(C)cc2CN)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-12-6-4-10(5-7-12)14(19)16-13-11(8-15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,19)
InChIKeyMBPQHPCONXYDEF-UHFFFAOYSA-N
XLogP1.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 62952156
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 166362384
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115913

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide (CID 104592742) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nn(C)cc2CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide?
The InChIKey is MBPQHPCONXYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-12-6-4-10(5-7-12)14(19)16-13-11(8-15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 104592742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).