1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide

C17H28N4O2 — CID 91103105

IUPAC1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
SMILESCCCCn1nc(C(N)=O)cc1C(=O)N1CCCCC1CCC
InChIInChI=1S/C17H28N4O2/c1-3-5-11-21-15(12-14(19-21)16(18)22)17(23)20-10-7-6-9-13(20)8-4-2/h12-13H,3-11H2,1-2H3,(H2,18,22)
InChIKeyHHQXKKJFDATJPP-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.58
Rot. Bonds7

About 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide

1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide (PubChem CID 91103105) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
PubChem CID91103105
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
SMILESCCCCn1nc(C(N)=O)cc1C(=O)N1CCCCC1CCC
InChIInChI=1S/C17H28N4O2/c1-3-5-11-21-15(12-14(19-21)16(18)22)17(23)20-10-7-6-9-13(20)8-4-2/h12-13H,3-11H2,1-2H3,(H2,18,22)
InChIKeyHHQXKKJFDATJPP-UHFFFAOYSA-N
XLogP2.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(6-hydrazinylpyrazin-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 114036334
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061829
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-ethyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68605429

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The IUPAC name of 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide (CID 91103105) is 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide is CCCCn1nc(C(N)=O)cc1C(=O)N1CCCCC1CCC.
What is the InChIKey of 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The InChIKey is HHQXKKJFDATJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-5-11-21-15(12-14(19-21)16(18)22)17(23)20-10-7-6-9-13(20)8-4-2/h12-13H,3-11H2,1-2H3,(H2,18,22).
What are the key properties of 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide is sourced from PubChem (CID 91103105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).