N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

C13H18N4 — CID 62294736

IUPACN-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cnn(-c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C13H18N4/c1-10(2)14-7-12-4-5-13(15-8-12)17-9-11(3)6-16-17/h4-6,8-10,14H,7H2,1-3H3
InChIKeyJQLSVIVIDYKJHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds4

About N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62294736) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62294736
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cnn(-c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C13H18N4/c1-10(2)14-7-12-4-5-13(15-8-12)17-9-11(3)6-16-17/h4-6,8-10,14H,7H2,1-3H3
InChIKeyJQLSVIVIDYKJHU-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
ethane;5-methyl-2-(4-methylpyrazol-1-yl)pyridine
CID 144804358
3-fluoro-1-methyl-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 145372013
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
CID 165486620
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
5-chloro-2-(4-methylpyrazol-1-yl)pyridine
CID 66233680
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62287555

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62294736) is N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cnn(-c2ccc(CNC(C)C)cn2)c1.
What is the InChIKey of N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is JQLSVIVIDYKJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)14-7-12-4-5-13(15-8-12)17-9-11(3)6-16-17/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62294736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).