N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine

C16H26N4 — CID 46989875

IUPACN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
SMILESC=CCN1CCC(CNCc2cn(CC=C)nc2C)C1
InChIInChI=1S/C16H26N4/c1-4-7-19-9-6-15(12-19)10-17-11-16-13-20(8-5-2)18-14(16)3/h4-5,13,15,17H,1-2,6-12H2,3H3
InChIKeyJQDSISWCNPCQJZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.98
Rot. Bonds8

About N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine (PubChem CID 46989875) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
PubChem CID46989875
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
SMILESC=CCN1CCC(CNCc2cn(CC=C)nc2C)C1
InChIInChI=1S/C16H26N4/c1-4-7-19-9-6-15(12-19)10-17-11-16-13-20(8-5-2)18-14(16)3/h4-5,13,15,17H,1-2,6-12H2,3H3
InChIKeyJQDSISWCNPCQJZ-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 46995894
4-[[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 46994344
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
(1S)-1-(1-methylimidazol-2-yl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 94595326
(1R)-1-(1-methylimidazol-2-yl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 94595327
1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
CID 95126139
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
CID 46991536
3-[2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethyl]-2H-phthalazine-1,4-dione
CID 46982598
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine (CID 46989875) is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine is C=CCN1CCC(CNCc2cn(CC=C)nc2C)C1.
What is the InChIKey of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine?
The InChIKey is JQDSISWCNPCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-7-19-9-6-15(12-19)10-17-11-16-13-20(8-5-2)18-14(16)3/h4-5,13,15,17H,1-2,6-12H2,3H3.
What are the key properties of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine?
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 46989875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).