2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide

C15H21N5O — CID 66126278

IUPAC2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCNCc2cccnc2)n(C)n1
InChIInChI=1S/C15H21N5O/c1-12-9-14(20(2)19-12)15(21)18-8-4-7-17-11-13-5-3-6-16-10-13/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOYIRSVBUXUCFCR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.03
Rot. Bonds7

About 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide (PubChem CID 66126278) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
PubChem CID66126278
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCNCc2cccnc2)n(C)n1
InChIInChI=1S/C15H21N5O/c1-12-9-14(20(2)19-12)15(21)18-8-4-7-17-11-13-5-3-6-16-10-13/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOYIRSVBUXUCFCR-UHFFFAOYSA-N
XLogP1.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide
CID 138674387
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide (CID 66126278) is 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCNCc2cccnc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is OYIRSVBUXUCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-9-14(20(2)19-12)15(21)18-8-4-7-17-11-13-5-3-6-16-10-13/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 66126278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).