2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine

C14H20N4 — CID 107587084

IUPAC2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCc1cncc(-n2ccc(CNCC(C)C)n2)c1
InChIInChI=1S/C14H20N4/c1-11(2)7-15-9-13-4-5-18(17-13)14-6-12(3)8-16-10-14/h4-6,8,10-11,15H,7,9H2,1-3H3
InChIKeyJDFPBKWRBGCYPT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds5

About 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 107587084) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine
PubChem CID107587084
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCc1cncc(-n2ccc(CNCC(C)C)n2)c1
InChIInChI=1S/C14H20N4/c1-11(2)7-15-9-13-4-5-18(17-13)14-6-12(3)8-16-10-14/h4-6,8,10-11,15H,7,9H2,1-3H3
InChIKeyJDFPBKWRBGCYPT-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107370969
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
CID 107590369
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 105375458
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[[1-(3-bromo-5-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107580484
2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115375189
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine (CID 107587084) is 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine is Cc1cncc(-n2ccc(CNCC(C)C)n2)c1.
What is the InChIKey of 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is JDFPBKWRBGCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)7-15-9-13-4-5-18(17-13)14-6-12(3)8-16-10-14/h4-6,8,10-11,15H,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107587084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).