N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine

C10H15N3 — CID 105112715

IUPACN-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccnn1C
InChIInChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-8-12-13(10)3/h7-9,11H,6H2,1-3H3
InChIKeyYZQOXKAMMWRXJS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine

N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine (PubChem CID 105112715) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
PubChem CID105112715
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccnn1C
InChIInChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-8-12-13(10)3/h7-9,11H,6H2,1-3H3
InChIKeyYZQOXKAMMWRXJS-UHFFFAOYSA-N
XLogP1.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.09
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

3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148
1-(2-chlorofuran-3-yl)-N-methylpent-3-yn-1-amine
CID 106691599

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine (CID 105112715) is N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine is CC#CCC(NC)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine?
The InChIKey is YZQOXKAMMWRXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-5-6-9(11-2)10-7-8-12-13(10)3/h7-9,11H,6H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine?
N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 105112715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).