3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole

C19H18N2 — CID 15881027

IUPAC3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C19H18N2/c1-13-17-18(21(20-13)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(17,2)3/h4-12H,1-3H3
InChIKeyTUYQEGMQSKSTDC-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.49
Rot. Bonds1

About 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole

3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole (PubChem CID 15881027) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole
PubChem CID15881027
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C19H18N2/c1-13-17-18(21(20-13)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(17,2)3/h4-12H,1-3H3
InChIKeyTUYQEGMQSKSTDC-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,3,5-Triphenylpyrazole
CID 626614
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
Cyto2A7
CID 2802803
3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 3741560
3-Pentyl-1,5-diphenylpyrazole
CID 71583291
1,3-Diphenyl-1,4,5,6-tetrahydro-cyclopentapyrazole
CID 15453869
3,4-Dimethyl-1,5-diphenylpyrazole
CID 10800584
3-methyl-1,5-diphenyl-4-(prop-2-yn-1-yl)-1H-pyrazole
CID 5327638
3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 659318
3-Methyl-1,5-diphenyl-4-prop-1-ynylpyrazole
CID 44265568
3,6-Dimethyl-1,4-diphenyl-4,5-dihydroindazole
CID 44613446

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole?
The IUPAC name of 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole (CID 15881027) is 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole.
What is the SMILES notation for 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole?
The canonical SMILES for 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole is Cc1nn(-c2ccccc2)c2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole?
The InChIKey is TUYQEGMQSKSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13-17-18(21(20-13)14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(17,2)3/h4-12H,1-3H3.
What are the key properties of 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole?
3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole has a molecular weight of 274.37 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-phenylindeno[2,1-d]pyrazole is sourced from PubChem (CID 15881027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).