1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine

C11H15N5 — CID 175948498

IUPAC1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine
SMILESCN(C)c1ccn(-c2ncccc2CN)n1
InChIInChI=1S/C11H15N5/c1-15(2)10-5-7-16(14-10)11-9(8-12)4-3-6-13-11/h3-7H,8,12H2,1-2H3
InChIKeyLCMLYXFCIWVTMA-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.79
Rot. Bonds3

About 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine

1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine (PubChem CID 175948498) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine
PubChem CID175948498
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine
SMILESCN(C)c1ccn(-c2ncccc2CN)n1
InChIInChI=1S/C11H15N5/c1-15(2)10-5-7-16(14-10)11-9(8-12)4-3-6-13-11/h3-7H,8,12H2,1-2H3
InChIKeyLCMLYXFCIWVTMA-UHFFFAOYSA-N
XLogP0.79
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine?
The IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine (CID 175948498) is 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine.
What is the SMILES notation for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine?
The canonical SMILES for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine is CN(C)c1ccn(-c2ncccc2CN)n1.
What is the InChIKey of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine?
The InChIKey is LCMLYXFCIWVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15(2)10-5-7-16(14-10)11-9(8-12)4-3-6-13-11/h3-7H,8,12H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine?
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine has a molecular weight of 217.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine is sourced from PubChem (CID 175948498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).