N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine

C12H19N3 — CID 115885755

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-5-7-10(3)13-8-11-9-15(4)14-12(11)6-2/h1,9-10,13H,6-8H2,2-4H3
InChIKeyMMRSYBTVFXCIRA-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.48
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine (PubChem CID 115885755) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
PubChem CID115885755
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-5-7-10(3)13-8-11-9-15(4)14-12(11)6-2/h1,9-10,13H,6-8H2,2-4H3
InChIKeyMMRSYBTVFXCIRA-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-ynylpropanamide
CID 112549878
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 115885749
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine (CID 115885755) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine is C#CCC(C)NCc1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The InChIKey is MMRSYBTVFXCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-7-10(3)13-8-11-9-15(4)14-12(11)6-2/h1,9-10,13H,6-8H2,2-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine is sourced from PubChem (CID 115885755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).