1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide

C12H15N5O — CID 83127022

IUPAC1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(C(C)N)nc2)n1
InChIInChI=1S/C12H15N5O/c1-8(13)10-4-3-9(7-15-10)17-6-5-11(16-17)12(18)14-2/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyFWSKYFOWOCSLKW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.65
Rot. Bonds3

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

1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide (PubChem CID 83127022) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide
PubChem CID83127022
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(C(C)N)nc2)n1
InChIInChI=1S/C12H15N5O/c1-8(13)10-4-3-9(7-15-10)17-6-5-11(16-17)12(18)14-2/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyFWSKYFOWOCSLKW-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide (CID 83127022) is 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(C(C)N)nc2)n1.
What is the InChIKey of 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is FWSKYFOWOCSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(13)10-4-3-9(7-15-10)17-6-5-11(16-17)12(18)14-2/h3-8H,13H2,1-2H3,(H,14,18).
What are the key properties of 1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide?
1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.65, 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]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 83127022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).