2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

C14H20N4 — CID 62491577

IUPAC2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ccn(-c2cc(CNC(C)(C)C)ccn2)n1
InChIInChI=1S/C14H20N4/c1-11-6-8-18(17-11)13-9-12(5-7-15-13)10-16-14(2,3)4/h5-9,16H,10H2,1-4H3
InChIKeyBPMGZTXUNMBANV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62491577) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62491577
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ccn(-c2cc(CNC(C)(C)C)ccn2)n1
InChIInChI=1S/C14H20N4/c1-11-6-8-18(17-11)13-9-12(5-7-15-13)10-16-14(2,3)4/h5-9,16H,10H2,1-4H3
InChIKeyBPMGZTXUNMBANV-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 62491577) is 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is Cc1ccn(-c2cc(CNC(C)(C)C)ccn2)n1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is BPMGZTXUNMBANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-6-8-18(17-11)13-9-12(5-7-15-13)10-16-14(2,3)4/h5-9,16H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62491577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).