4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide

C15H20N4O — CID 65355446

IUPAC4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1nn(C)cc1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-4-10-19(12-8-6-5-7-9-12)15(20)14-13(16)11-18(2)17-14/h5-9,11H,3-4,10,16H2,1-2H3
InChIKeySXUWMGURYNJHAS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.45
Rot. Bonds5

About 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide

4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide (PubChem CID 65355446) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
PubChem CID65355446
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1nn(C)cc1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-4-10-19(12-8-6-5-7-9-12)15(20)14-13(16)11-18(2)17-14/h5-9,11H,3-4,10,16H2,1-2H3
InChIKeySXUWMGURYNJHAS-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
CID 132586605
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 64585805
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide (CID 65355446) is 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide is CCCCN(C(=O)c1nn(C)cc1N)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is SXUWMGURYNJHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-10-19(12-8-6-5-7-9-12)15(20)14-13(16)11-18(2)17-14/h5-9,11H,3-4,10,16H2,1-2H3.
What are the key properties of 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide?
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 65355446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).