N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine

C13H18N4 — CID 78971710

IUPACN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C13H18N4/c1-10(2)15-8-12-9-17(3)16-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyXCJMUGMXSWNVIO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 78971710) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID78971710
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C13H18N4/c1-10(2)15-8-12-9-17(3)16-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyXCJMUGMXSWNVIO-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 111449599
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107124
N-[[3-(5-chlorothiophen-3-yl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 114083068
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine (CID 78971710) is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1cccnc1.
What is the InChIKey of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is XCJMUGMXSWNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)15-8-12-9-17(3)16-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 78971710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).