N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine

C11H19N3 — CID 170495407

IUPACN-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine
SMILESCNCCC=Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H19N3/c1-9-11(7-5-6-8-12-3)10(2)14(4)13-9/h5,7,12H,6,8H2,1-4H3
InChIKeyTYFVGOYIEJYAEN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine

N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine (PubChem CID 170495407) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine
PubChem CID170495407
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine
SMILESCNCCC=Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H19N3/c1-9-11(7-5-6-8-12-3)10(2)14(4)13-9/h5,7,12H,6,8H2,1-4H3
InChIKeyTYFVGOYIEJYAEN-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ene-1-thiol
CID 169454788
N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
CID 79347675
N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
CID 79347050
S-[4-(1,3,5-trimethylpyrazol-4-yl)but-3-enyl] ethanethioate
CID 170479746
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid
CID 43170625
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetic acid
CID 43354360
N-(1,3-dihydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77064785
N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
CID 113409000
6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495405
(E)-N-(1-hydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43419193
(E)-1-piperidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 31462086

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine (CID 170495407) is N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine is CNCCC=Cc1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine?
The InChIKey is TYFVGOYIEJYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-11(7-5-6-8-12-3)10(2)14(4)13-9/h5,7,12H,6,8H2,1-4H3.
What are the key properties of N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine?
N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-1-amine is sourced from PubChem (CID 170495407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).