1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

C20H21ClN6 — CID 19588056

IUPAC1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeyIVCABOZABSDQBN-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.00
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (PubChem CID 19588056) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
PubChem CID19588056
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3
InChIKeyIVCABOZABSDQBN-UHFFFAOYSA-N
XLogP4.00
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (CID 19588056) is 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The InChIKey is IVCABOZABSDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-13-17(11-25(3)22-13)19-9-20(18-12-26(4)23-14(18)2)27(24-19)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole has a molecular weight of 380.88 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).