4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide

C15H20N4O — CID 64586918

IUPAC4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1n[nH]c(C)c1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-4-10-19(12-8-6-5-7-9-12)15(20)14-13(16)11(2)17-18-14/h5-9H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyOZLCGBUSZXDBPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.75
Rot. Bonds5

About 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide

4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 64586918) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID64586918
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C(=O)c1n[nH]c(C)c1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-4-10-19(12-8-6-5-7-9-12)15(20)14-13(16)11(2)17-18-14/h5-9H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyOZLCGBUSZXDBPW-UHFFFAOYSA-N
XLogP2.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide (CID 64586918) is 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide is CCCCN(C(=O)c1n[nH]c(C)c1N)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is OZLCGBUSZXDBPW-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(2)17-18-14/h5-9H,3-4,10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 64586918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).