N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine

C16H30N4 — CID 62331818

IUPACN-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)CC1C
InChIInChI=1S/C16H30N4/c1-6-8-17-11-15-14(4)18-19(5)16(15)20-9-7-12(2)10-13(20)3/h12-13,17H,6-11H2,1-5H3
InChIKeyNFGGHGUEHNICQI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds5

About N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine

N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 62331818) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID62331818
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)CC1C
InChIInChI=1S/C16H30N4/c1-6-8-17-11-15-14(4)18-19(5)16(15)20-9-7-12(2)10-13(20)3/h12-13,17H,6-11H2,1-5H3
InChIKeyNFGGHGUEHNICQI-UHFFFAOYSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
CID 61437594
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 115560687
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 103535947
2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228099
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 61239722
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280836
[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
CID 43122104
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170
N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63071699

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine (CID 62331818) is N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(C)c1N1CCC(C)CC1C.
What is the InChIKey of N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is NFGGHGUEHNICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-8-17-11-15-14(4)18-19(5)16(15)20-9-7-12(2)10-13(20)3/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62331818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).