5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

C10H16N4 — CID 165456533

IUPAC5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCn1cc(CC2=CC(N)CNC2)cn1
InChIInChI=1S/C10H16N4/c1-14-7-9(5-13-14)2-8-3-10(11)6-12-4-8/h3,5,7,10,12H,2,4,6,11H2,1H3
InChIKeyTWAQSMZDEPFZPH-UHFFFAOYSA-N
MW192.27 g/mol
LogP-0.18
Rot. Bonds2

About 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165456533) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165456533
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCn1cc(CC2=CC(N)CNC2)cn1
InChIInChI=1S/C10H16N4/c1-14-7-9(5-13-14)2-8-3-10(11)6-12-4-8/h3,5,7,10,12H,2,4,6,11H2,1H3
InChIKeyTWAQSMZDEPFZPH-UHFFFAOYSA-N
XLogP-0.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803
1-methyl-4-(2-pyrrolidin-3-yloxyethyl)pyrazole
CID 103004028
1-methyl-4-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 62371587
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
CID 81197067
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (CID 165456533) is 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is Cn1cc(CC2=CC(N)CNC2)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is TWAQSMZDEPFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-7-9(5-13-14)2-8-3-10(11)6-12-4-8/h3,5,7,10,12H,2,4,6,11H2,1H3.
What are the key properties of 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 192.27 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165456533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).