1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine

C11H14N4 — CID 112650247

IUPAC1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
SMILESCc1cccnc1CNc1ccn(C)n1
InChIInChI=1S/C11H14N4/c1-9-4-3-6-12-10(9)8-13-11-5-7-15(2)14-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyROSGIQFWLFDHDO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine

1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine (PubChem CID 112650247) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
PubChem CID112650247
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
SMILESCc1cccnc1CNc1ccn(C)n1
InChIInChI=1S/C11H14N4/c1-9-4-3-6-12-10(9)8-13-11-5-7-15(2)14-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyROSGIQFWLFDHDO-UHFFFAOYSA-N
XLogP1.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine (CID 112650247) is 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine is Cc1cccnc1CNc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine?
The InChIKey is ROSGIQFWLFDHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-3-6-12-10(9)8-13-11-5-7-15(2)14-11/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine?
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 112650247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).