4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole

C16H18N2 — CID 102279443

IUPAC4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCC1=CCc2ccccc21
InChIInChI=1S/C16H18N2/c1-11-15(12(2)18-17-11)10-9-14-8-7-13-5-3-4-6-16(13)14/h3-6,8H,7,9-10H2,1-2H3,(H,17,18)
InChIKeyMIDHNYBKNPFQTD-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.60
Rot. Bonds3

About 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole

4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 102279443) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
PubChem CID102279443
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCC1=CCc2ccccc21
InChIInChI=1S/C16H18N2/c1-11-15(12(2)18-17-11)10-9-14-8-7-13-5-3-4-6-16(13)14/h3-6,8H,7,9-10H2,1-2H3,(H,17,18)
InChIKeyMIDHNYBKNPFQTD-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole
CID 102279445
4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
CID 102279447
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
dichlorozirconium;3-propyl-1H-indene
CID 175084745
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
3-but-3-enyl-1H-indene
CID 15878391
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103780736
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
3H-2-benzofuran-1-one;3-propyl-1H-indene
CID 175475170
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
CID 123755719

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole (CID 102279443) is 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCC1=CCc2ccccc21.
What is the InChIKey of 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is MIDHNYBKNPFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-15(12(2)18-17-11)10-9-14-8-7-13-5-3-4-6-16(13)14/h3-6,8H,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 238.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 102279443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).