N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide

C15H20N4O — CID 102801161

IUPACN-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C)nc1C)c1cccc(N)c1
InChIInChI=1S/C15H20N4O/c1-4-8-19(13-7-5-6-12(16)9-13)15(20)14-10-18(3)17-11(14)2/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyHSRHGVJDIKYQHP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide

N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide (PubChem CID 102801161) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
PubChem CID102801161
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C)nc1C)c1cccc(N)c1
InChIInChI=1S/C15H20N4O/c1-4-8-19(13-7-5-6-12(16)9-13)15(20)14-10-18(3)17-11(14)2/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeyHSRHGVJDIKYQHP-UHFFFAOYSA-N
XLogP2.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
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

N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
CID 103510337
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 57433379
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158752354

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide (CID 102801161) is N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide is CCCN(C(=O)c1cn(C)nc1C)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide?
The InChIKey is HSRHGVJDIKYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-8-19(13-7-5-6-12(16)9-13)15(20)14-10-18(3)17-11(14)2/h5-7,9-10H,4,8,16H2,1-3H3.
What are the key properties of N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide?
N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 102801161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).