4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C15H20N4O — CID 62081041

IUPAC4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C15H20N4O/c1-3-4-5-11-6-8-12(9-7-11)17-15(20)14-13(16)10(2)18-19-14/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVPDZOHQLYDDEU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081041) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081041
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C15H20N4O/c1-3-4-5-11-6-8-12(9-7-11)17-15(20)14-13(16)10(2)18-19-14/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVPDZOHQLYDDEU-UHFFFAOYSA-N
XLogP2.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(4-butylphenyl)oxamide
CID 3438016
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 62082097
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075447
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
CID 142869631
4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075916

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62081041) is 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is CCCCc1ccc(NC(=O)c2n[nH]c(C)c2N)cc1.
What is the InChIKey of 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XVPDZOHQLYDDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-5-11-6-8-12(9-7-11)17-15(20)14-13(16)10(2)18-19-14/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).