3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole

C29H26N4 — CID 59661100

IUPAC3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESc1ccc(-c2cn(-c3ccccc3)nc2Cc2nn(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C29H26N4/c1-4-12-22(13-5-1)26-21-32(23-14-6-2-7-15-23)30-28(26)20-27-25-18-10-11-19-29(25)33(31-27)24-16-8-3-9-17-24/h1-9,12-17,21H,10-11,18-20H2
InChIKeyLBQJHDCCXGVQQC-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.19
Rot. Bonds5

About 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole

3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole (PubChem CID 59661100) has the molecular formula C29H26N4 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole
PubChem CID59661100
Molecular FormulaC29H26N4
Molecular Weight430.56 g/mol
Exact Mass430.22
IUPAC Name3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESc1ccc(-c2cn(-c3ccccc3)nc2Cc2nn(-c3ccccc3)c3c2CCCC3)cc1
InChIInChI=1S/C29H26N4/c1-4-12-22(13-5-1)26-21-32(23-14-6-2-7-15-23)30-28(26)20-27-25-18-10-11-19-29(25)33(31-27)24-16-8-3-9-17-24/h1-9,12-17,21H,10-11,18-20H2
InChIKeyLBQJHDCCXGVQQC-UHFFFAOYSA-N
XLogP6.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
2-(1,4-diphenylpyrazol-3-yl)acetamide
CID 21418445
3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 56528673
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
1,3,4-triphenylpyrazole
CID 555882
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
3-nitro-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139801411
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiomorpholine-4-carboxamide
CID 71938738

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole (CID 59661100) is 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole is c1ccc(-c2cn(-c3ccccc3)nc2Cc2nn(-c3ccccc3)c3c2CCCC3)cc1.
What is the InChIKey of 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is LBQJHDCCXGVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4/c1-4-12-22(13-5-1)26-21-32(23-14-6-2-7-15-23)30-28(26)20-27-25-18-10-11-19-29(25)33(31-27)24-16-8-3-9-17-24/h1-9,12-17,21H,10-11,18-20H2.
What are the key properties of 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole?
3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 430.56 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 59661100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).