N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine

C13H18N4 — CID 63962466

IUPACN-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccnn1C
InChIInChI=1S/C13H18N4/c1-3-8-15-13(11-6-4-5-9-14-11)12-7-10-16-17(12)2/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyAKBXSUMRRWSILU-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine

N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine (PubChem CID 63962466) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
PubChem CID63962466
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccnn1C
InChIInChI=1S/C13H18N4/c1-3-8-15-13(11-6-4-5-9-14-11)12-7-10-16-17(12)2/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyAKBXSUMRRWSILU-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine (CID 63962466) is N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine is CCCNC(c1ccccn1)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine?
The InChIKey is AKBXSUMRRWSILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-8-15-13(11-6-4-5-9-14-11)12-7-10-16-17(12)2/h4-7,9-10,13,15H,3,8H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine?
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.90, 5 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)-pyridin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 63962466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).