N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine

C11H19N3 — CID 115727790

IUPACN-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
SMILESC=CC(C)NC(CC)c1cnn(C)c1
InChIInChI=1S/C11H19N3/c1-5-9(3)13-11(6-2)10-7-12-14(4)8-10/h5,7-9,11,13H,1,6H2,2-4H3
InChIKeyBVFYHRGCUVBZAY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine

N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine (PubChem CID 115727790) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
PubChem CID115727790
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
SMILESC=CC(C)NC(CC)c1cnn(C)c1
InChIInChI=1S/C11H19N3/c1-5-9(3)13-11(6-2)10-7-12-14(4)8-10/h5,7-9,11,13H,1,6H2,2-4H3
InChIKeyBVFYHRGCUVBZAY-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
CID 115867794
N-tert-butylsulfanyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 170449243
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
CID 115920575
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine (CID 115727790) is N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine is C=CC(C)NC(CC)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine?
The InChIKey is BVFYHRGCUVBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-9(3)13-11(6-2)10-7-12-14(4)8-10/h5,7-9,11,13H,1,6H2,2-4H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine?
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine is sourced from PubChem (CID 115727790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).