1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine

C12H22N4 — CID 103568715

IUPAC1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
SMILESCn1ccc(NCCCC2CCCNC2)n1
InChIInChI=1S/C12H22N4/c1-16-9-6-12(15-16)14-8-3-5-11-4-2-7-13-10-11/h6,9,11,13H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyLFJPNDVNOMRRMI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.61
Rot. Bonds5

About 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine

1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine (PubChem CID 103568715) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
PubChem CID103568715
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
SMILESCn1ccc(NCCCC2CCCNC2)n1
InChIInChI=1S/C12H22N4/c1-16-9-6-12(15-16)14-8-3-5-11-4-2-7-13-10-11/h6,9,11,13H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyLFJPNDVNOMRRMI-UHFFFAOYSA-N
XLogP1.61
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-1-methylpyrazol-3-amine
CID 62072265
6-ethyl-N-(2-piperidin-3-ylethyl)pyridazin-3-amine
CID 116972209
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
N-(2-piperidin-3-ylethyl)-6-propan-2-ylpyridazin-3-amine
CID 116972213
N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
CID 103568574
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95825517
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 64618955
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline
CID 68988298
1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine
CID 114252222

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine (CID 103568715) is 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine is Cn1ccc(NCCCC2CCCNC2)n1.
What is the InChIKey of 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine?
The InChIKey is LFJPNDVNOMRRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16-9-6-12(15-16)14-8-3-5-11-4-2-7-13-10-11/h6,9,11,13H,2-5,7-8,10H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine?
1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine is sourced from PubChem (CID 103568715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).