N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine

C9H13N3 — CID 106104362

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCc1ccn(C)n1
InChIInChI=1S/C9H13N3/c1-3-6-10-7-4-9-5-8-12(2)11-9/h1,5,8,10H,4,6-7H2,2H3
InChIKeyBRMOKIIWXBCRDT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.19
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine (PubChem CID 106104362) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
PubChem CID106104362
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCc1ccn(C)n1
InChIInChI=1S/C9H13N3/c1-3-6-10-7-4-9-5-8-12(2)11-9/h1,5,8,10H,4,6-7H2,2H3
InChIKeyBRMOKIIWXBCRDT-UHFFFAOYSA-N
XLogP0.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine (CID 106104362) is N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine is C#CCNCCc1ccn(C)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is BRMOKIIWXBCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-6-10-7-4-9-5-8-12(2)11-9/h1,5,8,10H,4,6-7H2,2H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 106104362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).