4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole

C15H16N2 — CID 102279445

IUPAC4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CC1=CCc2ccccc21
InChIInChI=1S/C15H16N2/c1-10-15(11(2)17-16-10)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,8H,7,9H2,1-2H3,(H,16,17)
InChIKeyCGRFEBNXDJCTQL-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.21
Rot. Bonds2

About 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole

4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 102279445) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole
PubChem CID102279445
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CC1=CCc2ccccc21
InChIInChI=1S/C15H16N2/c1-10-15(11(2)17-16-10)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,8H,7,9H2,1-2H3,(H,16,17)
InChIKeyCGRFEBNXDJCTQL-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole (CID 102279445) is 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CC1=CCc2ccccc21.
What is the InChIKey of 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is CGRFEBNXDJCTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-15(11(2)17-16-10)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,8H,7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole?
4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 224.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 102279445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).