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

C13H18N4 — CID 55075387

IUPAC3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1Cn1cc(C)cn1
InChIInChI=1S/C13H18N4/c1-3-6-14-13-12(5-4-7-15-13)10-17-9-11(2)8-16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15)
InChIKeyXNWCXQUCVWRGLZ-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.46
Rot. Bonds5

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

3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 55075387) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID55075387
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1Cn1cc(C)cn1
InChIInChI=1S/C13H18N4/c1-3-6-14-13-12(5-4-7-15-13)10-17-9-11(2)8-16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15)
InChIKeyXNWCXQUCVWRGLZ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(4-methylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62465092
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
CID 103748346
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63073046
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 104969986
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
CID 62464559
ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
CID 104530067

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine (CID 55075387) is 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1Cn1cc(C)cn1.
What is the InChIKey of 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is XNWCXQUCVWRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-6-14-13-12(5-4-7-15-13)10-17-9-11(2)8-16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 230.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55075387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).