N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine

C11H17N3 — CID 107234285

IUPACN-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1cnn(C)c1
InChIInChI=1S/C11H17N3/c1-4-6-11(5-2)12-7-10-8-13-14(3)9-10/h2,8-9,11-12H,4,6-7H2,1,3H3
InChIKeyIZDAUWDXJRXTCR-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.31
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine

N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine (PubChem CID 107234285) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
PubChem CID107234285
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NCc1cnn(C)c1
InChIInChI=1S/C11H17N3/c1-4-6-11(5-2)12-7-10-8-13-14(3)9-10/h2,8-9,11-12H,4,6-7H2,1,3H3
InChIKeyIZDAUWDXJRXTCR-UHFFFAOYSA-N
XLogP1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 115769846
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
N-(furan-3-ylmethyl)hex-1-yn-3-amine
CID 106226947
N-[(4-trimethylsilylphenyl)methyl]hex-1-yn-3-amine
CID 114161247
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
CID 106230031
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160
N-[(3-chloro-4-fluorophenyl)methyl]hex-1-yn-3-amine
CID 107234241
ethyl 2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 64668955
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine (CID 107234285) is N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine is C#CC(CCC)NCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine?
The InChIKey is IZDAUWDXJRXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-6-11(5-2)12-7-10-8-13-14(3)9-10/h2,8-9,11-12H,4,6-7H2,1,3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine?
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine is sourced from PubChem (CID 107234285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).