N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide

C15H20N4O — CID 43459645

IUPACN-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H20N4O/c1-3-7-19(10-12-5-4-6-14(16)8-12)15(20)13-9-17-18(2)11-13/h4-6,8-9,11H,3,7,10,16H2,1-2H3
InChIKeyZXCASRMLMINJOP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide

N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 43459645) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
PubChem CID43459645
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H20N4O/c1-3-7-19(10-12-5-4-6-14(16)8-12)15(20)13-9-17-18(2)11-13/h4-6,8-9,11H,3,7,10,16H2,1-2H3
InChIKeyZXCASRMLMINJOP-UHFFFAOYSA-N
XLogP2.05
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide
CID 86779207
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide (CID 43459645) is N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide is CCCN(Cc1cccc(N)c1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is ZXCASRMLMINJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-19(10-12-5-4-6-14(16)8-12)15(20)13-9-17-18(2)11-13/h4-6,8-9,11H,3,7,10,16H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide?
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 43459645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).