2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine

C8H11N3 — CID 126984347

IUPAC2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccn[nH]1
InChIInChI=1S/C8H11N3/c1-8(2,9)5-3-7-4-6-10-11-7/h4,6H,9H2,1-2H3,(H,10,11)
InChIKeyBDWOYPHHISKFOK-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.50
Rot. Bonds

About 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine

2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine (PubChem CID 126984347) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine
PubChem CID126984347
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccn[nH]1
InChIInChI=1S/C8H11N3/c1-8(2,9)5-3-7-4-6-10-11-7/h4,6H,9H2,1-2H3,(H,10,11)
InChIKeyBDWOYPHHISKFOK-UHFFFAOYSA-N
XLogP0.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylpent-1-ynyl)-1H-pyrazole
CID 156542080
1H-pyrazole-5-carbonitrile;dihydrochloride
CID 139536468
2-methyl-4-(3-methylphenyl)but-3-yn-2-amine
CID 63997683
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
CID 139058362
4-(3,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997889
2-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 82669845
CID 176945388
CID 176945388
4-(4-fluoro-2-methylphenyl)-2-methylbut-3-yn-2-amine
CID 63997278
4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997891
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63078570
5-(2-methylbut-3-yn-2-yl)-1H-pyridazin-6-one
CID 91309660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine?
The IUPAC name of 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine (CID 126984347) is 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine?
The canonical SMILES for 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine is CC(C)(N)C#Cc1ccn[nH]1.
What is the InChIKey of 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine?
The InChIKey is BDWOYPHHISKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-8(2,9)5-3-7-4-6-10-11-7/h4,6H,9H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine?
2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine has a molecular weight of 149.20 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine is sourced from PubChem (CID 126984347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).