N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine

C11H14N4 — CID 19626584

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCn1nccc1CNCc1cccnc1
InChIInChI=1S/C11H14N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h2-7,13H,8-9H2,1H3
InChIKeyJAMGJWYCMDQFNT-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.10
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 19626584) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID19626584
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCn1nccc1CNCc1cccnc1
InChIInChI=1S/C11H14N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h2-7,13H,8-9H2,1H3
InChIKeyJAMGJWYCMDQFNT-UHFFFAOYSA-N
XLogP1.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine (CID 19626584) is N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine is Cn1nccc1CNCc1cccnc1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is JAMGJWYCMDQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h2-7,13H,8-9H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 19626584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).