N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine

C15H25N3 — CID 104811614

IUPACN-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC#CCCn1nc(C)c(CCNCCC)c1C
InChIInChI=1S/C15H25N3/c1-5-7-8-12-18-14(4)15(13(3)17-18)9-11-16-10-6-2/h16H,6,8-12H2,1-4H3
InChIKeyLZEXPOUBHGTMIO-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 104811614) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID104811614
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC#CCCn1nc(C)c(CCNCCC)c1C
InChIInChI=1S/C15H25N3/c1-5-7-8-12-18-14(4)15(13(3)17-18)9-11-16-10-6-2/h16H,6,8-12H2,1-4H3
InChIKeyLZEXPOUBHGTMIO-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
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'}

Analyze N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225448
(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
CID 104811561
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103015723
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594
N-[2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103140561
N-[2-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 104811615
N-[[1-(2-ethylsulfanylethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 113473948
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 83168483
N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79219999
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine (CID 104811614) is N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine is CC#CCCn1nc(C)c(CCNCCC)c1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is LZEXPOUBHGTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-7-8-12-18-14(4)15(13(3)17-18)9-11-16-10-6-2/h16H,6,8-12H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104811614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).