N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine

C15H28N4 — CID 43280236

IUPACN-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-5-8-16-11-14-13(3)17-18(4)15(14)19-9-6-12(2)7-10-19/h12,16H,5-11H2,1-4H3
InChIKeySRQAWJWEIIAMAB-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.46
Rot. Bonds5

About N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine

N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 43280236) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID43280236
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-5-8-16-11-14-13(3)17-18(4)15(14)19-9-6-12(2)7-10-19/h12,16H,5-11H2,1-4H3
InChIKeySRQAWJWEIIAMAB-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine (CID 43280236) is N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(C)c1N1CCC(C)CC1.
What is the InChIKey of N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is SRQAWJWEIIAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-16-11-14-13(3)17-18(4)15(14)19-9-6-12(2)7-10-19/h12,16H,5-11H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 264.42 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 N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 43280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).