2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole

C19H17ClN6 — CID 7614366

IUPAC2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2c(C)nn(-c3ccccc3)c2Cl)n1
InChIInChI=1S/C19H17ClN6/c1-13-8-6-7-11-16(13)19-21-24-25(23-19)12-17-14(2)22-26(18(17)20)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeyDKBWVWUQGFIEPB-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.84
Rot. Bonds4

About 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole

2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole (PubChem CID 7614366) has the molecular formula C19H17ClN6 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole
PubChem CID7614366
Molecular FormulaC19H17ClN6
Molecular Weight364.84 g/mol
Exact Mass364.12
IUPAC Name2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2c(C)nn(-c3ccccc3)c2Cl)n1
InChIInChI=1S/C19H17ClN6/c1-13-8-6-7-11-16(13)19-21-24-25(23-19)12-17-14(2)22-26(18(17)20)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeyDKBWVWUQGFIEPB-UHFFFAOYSA-N
XLogP3.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole?
The IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole (CID 7614366) is 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole?
The canonical SMILES for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole is Cc1ccccc1-c1nnn(Cc2c(C)nn(-c3ccccc3)c2Cl)n1.
What is the InChIKey of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole?
The InChIKey is DKBWVWUQGFIEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6/c1-13-8-6-7-11-16(13)19-21-24-25(23-19)12-17-14(2)22-26(18(17)20)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole?
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole has a molecular weight of 364.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methylphenyl)tetrazole is sourced from PubChem (CID 7614366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).