N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine

C11H17N3 — CID 106229374

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1cc(C)nn1C
InChIInChI=1S/C11H17N3/c1-5-10(6-2)12-8-11-7-9(3)13-14(11)4/h1,7,10,12H,6,8H2,2-4H3
InChIKeyQDHCFZOBTPTAHT-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.23
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine (PubChem CID 106229374) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine
PubChem CID106229374
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1cc(C)nn1C
InChIInChI=1S/C11H17N3/c1-5-10(6-2)12-8-11-7-9(3)13-14(11)4/h1,7,10,12H,6,8H2,2-4H3
InChIKeyQDHCFZOBTPTAHT-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160757
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79025656
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pent-1-yn-3-amine
CID 106224886
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine (CID 106229374) is N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine is C#CC(CC)NCc1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The InChIKey is QDHCFZOBTPTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-10(6-2)12-8-11-7-9(3)13-14(11)4/h1,7,10,12H,6,8H2,2-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine is sourced from PubChem (CID 106229374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).