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

C14H18N4O — CID 64585805

IUPAC5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn[nH]c1N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-3-9-18(11-7-5-4-6-8-11)14(19)12-10-16-17-13(12)15/h4-8,10H,2-3,9H2,1H3,(H3,15,16,17)
InChIKeyQQHVNCHKLMPYCO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds5

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

5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 64585805) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID64585805
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn[nH]c1N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-3-9-18(11-7-5-4-6-8-11)14(19)12-10-16-17-13(12)15/h4-8,10H,2-3,9H2,1H3,(H3,15,16,17)
InChIKeyQQHVNCHKLMPYCO-UHFFFAOYSA-N
XLogP2.44
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
5-amino-N,N-dipropyl-1H-pyrazole-4-carboxamide
CID 43159428
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 64585805) is 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide is CCCCN(C(=O)c1cn[nH]c1N)c1ccccc1.
What is the InChIKey of 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is QQHVNCHKLMPYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-9-18(11-7-5-4-6-8-11)14(19)12-10-16-17-13(12)15/h4-8,10H,2-3,9H2,1H3,(H3,15,16,17).
What are the key properties of 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide?
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64585805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).