3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine

C13H19N5 — CID 65200715

IUPAC3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnn(C)c1)c1cnccc1N
InChIInChI=1S/C13H19N5/c1-3-5-16-13(10-7-17-18(2)9-10)11-8-15-6-4-12(11)14/h4,6-9,13,16H,3,5H2,1-2H3,(H2,14,15)
InChIKeyJGAKGMYTLHZFGT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds5

About 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine

3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine (PubChem CID 65200715) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
PubChem CID65200715
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnn(C)c1)c1cnccc1N
InChIInChI=1S/C13H19N5/c1-3-5-16-13(10-7-17-18(2)9-10)11-8-15-6-4-12(11)14/h4,6-9,13,16H,3,5H2,1-2H3,(H2,14,15)
InChIKeyJGAKGMYTLHZFGT-UHFFFAOYSA-N
XLogP1.49
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105065275
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 82740765
3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
CID 106950927
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine (CID 65200715) is 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine is CCCNC(c1cnn(C)c1)c1cnccc1N.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine?
The InChIKey is JGAKGMYTLHZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-5-16-13(10-7-17-18(2)9-10)11-8-15-6-4-12(11)14/h4,6-9,13,16H,3,5H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine?
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 65200715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).