4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole

C21H24N2 — CID 134308768

IUPAC4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N2/c1-15(2)19-11-8-12-20(16(3)4)21(19)17-13-22-23(14-17)18-9-6-5-7-10-18/h5-16H,1-4H3
InChIKeyMSHFNQZBDMMFNX-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.79
Rot. Bonds4

About 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole

4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole (PubChem CID 134308768) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
PubChem CID134308768
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N2/c1-15(2)19-11-8-12-20(16(3)4)21(19)17-13-22-23(14-17)18-9-6-5-7-10-18/h5-16H,1-4H3
InChIKeyMSHFNQZBDMMFNX-UHFFFAOYSA-N
XLogP5.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-4-[2,6-di(propan-2-yl)phenyl]pyrazole
CID 135344077
3-chloro-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenol
CID 138629061
CID 175329232
CID 175329232
1-[18-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-3-phenyl-2H-benzimidazole
CID 156627331
3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 62220880
3-[4-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzonitrile
CID 134308751
CID 156627382
CID 156627382
CID 156627313
CID 156627313
2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-2-fluorophenyl]-3-(2-fluorophenyl)benzene-1,4-diol
CID 175111822
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
CID 156627330
CID 156627330
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole (CID 134308768) is 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole is CC(C)c1cccc(C(C)C)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole?
The InChIKey is MSHFNQZBDMMFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-15(2)19-11-8-12-20(16(3)4)21(19)17-13-22-23(14-17)18-9-6-5-7-10-18/h5-16H,1-4H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole?
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole has a molecular weight of 304.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole is sourced from PubChem (CID 134308768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).