N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

C16H30N4 — CID 115885360

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-4-16-15(13-19(3)18-16)12-17-8-5-9-20-10-6-14(2)7-11-20/h13-14,17H,4-12H2,1-3H3
InChIKeyFPOMVCVCEHJSPP-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.19
Rot. Bonds7

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 115885360) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID115885360
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCCc1nn(C)cc1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-4-16-15(13-19(3)18-16)12-17-8-5-9-20-10-6-14(2)7-11-20/h13-14,17H,4-12H2,1-3H3
InChIKeyFPOMVCVCEHJSPP-UHFFFAOYSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.19
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-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 112668905
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 115885749
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 103893940
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115885370
3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66134575

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 115885360) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is CCc1nn(C)cc1CNCCCN1CCC(C)CC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is FPOMVCVCEHJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-16-15(13-19(3)18-16)12-17-8-5-9-20-10-6-14(2)7-11-20/h13-14,17H,4-12H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 115885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).