1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole

C22H21ClN4 — CID 19586891

IUPAC1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(C)c3)c2C)c1
InChIInChI=1S/C22H21ClN4/c1-15-6-4-8-18(10-15)21-17(3)22(19-9-5-7-16(2)11-19)27(25-21)14-26-13-20(23)12-24-26/h4-13H,14H2,1-3H3
InChIKeyFFNWQGXXJBKVNH-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.50
Rot. Bonds4

About 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole

1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole (PubChem CID 19586891) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole
PubChem CID19586891
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(C)c3)c2C)c1
InChIInChI=1S/C22H21ClN4/c1-15-6-4-8-18(10-15)21-17(3)22(19-9-5-7-16(2)11-19)27(25-21)14-26-13-20(23)12-24-26/h4-13H,14H2,1-3H3
InChIKeyFFNWQGXXJBKVNH-UHFFFAOYSA-N
XLogP5.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole?
The IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole (CID 19586891) is 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole.
What is the SMILES notation for 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole?
The canonical SMILES for 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole is Cc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(C)c3)c2C)c1.
What is the InChIKey of 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole?
The InChIKey is FFNWQGXXJBKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c1-15-6-4-8-18(10-15)21-17(3)22(19-9-5-7-16(2)11-19)27(25-21)14-26-13-20(23)12-24-26/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole?
1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole has a molecular weight of 376.89 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole is sourced from PubChem (CID 19586891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).