N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine

C11H17N3 — CID 65200857

IUPACN-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccn(C)n1
InChIInChI=1S/C11H17N3/c1-4-6-7-10(12-5-2)11-8-9-14(3)13-11/h8-10,12H,5,7H2,1-3H3
InChIKeyZKSCOFRVWYPDDZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.48
Rot. Bonds4

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

N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine (PubChem CID 65200857) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
PubChem CID65200857
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccn(C)n1
InChIInChI=1S/C11H17N3/c1-4-6-7-10(12-5-2)11-8-9-14(3)13-11/h8-10,12H,5,7H2,1-3H3
InChIKeyZKSCOFRVWYPDDZ-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.48
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-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
N-ethyl-N',N'-dimethyl-1-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103131264
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 103134564
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
1-(2,5-dimethylpyrazol-3-yl)-N-ethylpent-3-yn-1-amine
CID 105112063
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine (CID 65200857) is N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine is CC#CCC(NCC)c1ccn(C)n1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine?
The InChIKey is ZKSCOFRVWYPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-6-7-10(12-5-2)11-8-9-14(3)13-11/h8-10,12H,5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine?
N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 65200857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).