1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide

C11H13N5O — CID 83127909

IUPAC1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCC(N)c1ccc(-n2ccc(C(N)=O)n2)cn1
InChIInChI=1S/C11H13N5O/c1-7(12)9-3-2-8(6-14-9)16-5-4-10(15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17)
InChIKeyKHOHXYWHPFYZLW-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.39
Rot. Bonds3

About 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide

1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 83127909) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID83127909
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCC(N)c1ccc(-n2ccc(C(N)=O)n2)cn1
InChIInChI=1S/C11H13N5O/c1-7(12)9-3-2-8(6-14-9)16-5-4-10(15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17)
InChIKeyKHOHXYWHPFYZLW-UHFFFAOYSA-N
XLogP0.39
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
2,5-dimethyl-4-nitro-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-3-carboxamide
CID 6874504
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
5-tert-butyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862370
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
3-(Propan-2-YL)-N'-[(1E)-1-(pyridin-4-YL)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 44723927

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide (CID 83127909) is 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide is CC(N)c1ccc(-n2ccc(C(N)=O)n2)cn1.
What is the InChIKey of 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is KHOHXYWHPFYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(12)9-3-2-8(6-14-9)16-5-4-10(15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17).
What are the key properties of 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide?
1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 83127909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).