1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide

C13H17N5O — CID 80634992

IUPAC1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCC(N)Cc1ccc(-n2ccc(C(N)=O)n2)nc1
InChIInChI=1S/C13H17N5O/c1-2-10(14)7-9-3-4-12(16-8-9)18-6-5-11(17-18)13(15)19/h3-6,8,10H,2,7,14H2,1H3,(H2,15,19)
InChIKeyRULDCUZHEUWGCJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.65
Rot. Bonds5

About 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide

1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 80634992) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID80634992
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCC(N)Cc1ccc(-n2ccc(C(N)=O)n2)nc1
InChIInChI=1S/C13H17N5O/c1-2-10(14)7-9-3-4-12(16-8-9)18-6-5-11(17-18)13(15)19/h3-6,8,10H,2,7,14H2,1H3,(H2,15,19)
InChIKeyRULDCUZHEUWGCJ-UHFFFAOYSA-N
XLogP0.65
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
CID 80635058
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
CID 80634984
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915
1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80636555
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide
CID 64783006
6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 89463371
1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 83127909
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 80634992) is 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide is CCC(N)Cc1ccc(-n2ccc(C(N)=O)n2)nc1.
What is the InChIKey of 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is RULDCUZHEUWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-10(14)7-9-3-4-12(16-8-9)18-6-5-11(17-18)13(15)19/h3-6,8,10H,2,7,14H2,1H3,(H2,15,19).
What are the key properties of 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide?
1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 80634992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).