1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole

C25H27ClN4O2 — CID 19587480

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cn2nc(C)c(Cl)c2C)c1-c1cccc(OC)c1
InChIInChI=1S/C25H27ClN4O2/c1-6-22-24(18-9-7-11-20(13-18)31-4)28-30(15-29-17(3)23(26)16(2)27-29)25(22)19-10-8-12-21(14-19)32-5/h7-14H,6,15H2,1-5H3
InChIKeyBYGOHSILZKZQDQ-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.77
Rot. Bonds7

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole (PubChem CID 19587480) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
PubChem CID19587480
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cn2nc(C)c(Cl)c2C)c1-c1cccc(OC)c1
InChIInChI=1S/C25H27ClN4O2/c1-6-22-24(18-9-7-11-20(13-18)31-4)28-30(15-29-17(3)23(26)16(2)27-29)25(22)19-10-8-12-21(14-19)32-5/h7-14H,6,15H2,1-5H3
InChIKeyBYGOHSILZKZQDQ-UHFFFAOYSA-N
XLogP5.77
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole with MolForge

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Related Compounds

1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19586755
ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587517
4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 19587228
ethyl 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587044
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
1-[[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 17025607
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 17025034
1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
CID 19587327

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole (CID 19587480) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole is CCc1c(-c2cccc(OC)c2)nn(Cn2nc(C)c(Cl)c2C)c1-c1cccc(OC)c1.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
The InChIKey is BYGOHSILZKZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-6-22-24(18-9-7-11-20(13-18)31-4)28-30(15-29-17(3)23(26)16(2)27-29)25(22)19-10-8-12-21(14-19)32-5/h7-14H,6,15H2,1-5H3.
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole has a molecular weight of 450.97 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 19587480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).