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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Related Compounds

4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
CID 102279443
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103780736
4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine
CID 20814148
4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
CID 102279447
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
3-(2-bromopropyl)-1H-indene
CID 23559641
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline
CID 43644758
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
acetic acid;3H-inden-1-ylmethanol
CID 71363289

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).