1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

C15H26N4O — CID 51085868

IUPAC1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-12-13(11-17-19)14(20)16-7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyVKLKGPQJGKRJNC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds5

About 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (PubChem CID 51085868) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
PubChem CID51085868
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-12-13(11-17-19)14(20)16-7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyVKLKGPQJGKRJNC-UHFFFAOYSA-N
XLogP1.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide
CID 94836244
1-tert-butyl-N-[3-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 119429695
1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide
CID 94823248
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176302
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (CID 51085868) is 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NCCCN2CCCC2)cn1.
What is the InChIKey of 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is VKLKGPQJGKRJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)19-12-13(11-17-19)14(20)16-7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51085868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).