acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

C19H26N4 — CID 145091659

IUPACacetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESC#C.CC.CC#N.CN1CCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C13H15N3.C2H3N.C2H6.C2H2/c1-15-6-5-11-7-10(3-4-13(11)15)12-8-14-16(2)9-12;1-2-3;2*1-2/h3-4,7-9H,5-6H2,1-2H3;1H3;1-2H3;1-2H
InChIKeyKYNKIVMZNLOVEQ-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.88
Rot. Bonds1

About acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (PubChem CID 145091659) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Nameacetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
PubChem CID145091659
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Nameacetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESC#C.CC.CC#N.CN1CCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C13H15N3.C2H3N.C2H6.C2H2/c1-15-6-5-11-7-10(3-4-13(11)15)12-8-14-16(2)9-12;1-2-3;2*1-2/h3-4,7-9H,5-6H2,1-2H3;1H3;1-2H3;1-2H
InChIKeyKYNKIVMZNLOVEQ-UHFFFAOYSA-N
XLogP3.88
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
(3R)-3-ethynyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398485
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385700
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272

Frequently Asked Questions

What is the IUPAC name of acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The IUPAC name of acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (CID 145091659) is acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.
What is the SMILES notation for acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The canonical SMILES for acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is C#C.CC.CC#N.CN1CCc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The InChIKey is KYNKIVMZNLOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.C2H3N.C2H6.C2H2/c1-15-6-5-11-7-10(3-4-13(11)15)12-8-14-16(2)9-12;1-2-3;2*1-2/h3-4,7-9H,5-6H2,1-2H3;1H3;1-2H3;1-2H.
What are the key properties of acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole has a molecular weight of 310.45 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 145091659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).