5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole

C24H28N6 — CID 10525041

IUPAC5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCn1nc(C(C)(C)C)cc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H28N6/c1-5-14-30-19(16-22(27-30)24(2,3)4)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)23-25-28-29-26-23/h6-13,16H,5,14-15H2,1-4H3,(H,25,26,28,29)
InChIKeyRTRDIAQDXUIRDM-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.03
Rot. Bonds6

About 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole

5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole (PubChem CID 10525041) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole
PubChem CID10525041
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCn1nc(C(C)(C)C)cc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H28N6/c1-5-14-30-19(16-22(27-30)24(2,3)4)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)23-25-28-29-26-23/h6-13,16H,5,14-15H2,1-4H3,(H,25,26,28,29)
InChIKeyRTRDIAQDXUIRDM-UHFFFAOYSA-N
XLogP5.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole (CID 10525041) is 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole is CCCn1nc(C(C)(C)C)cc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The InChIKey is RTRDIAQDXUIRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-5-14-30-19(16-22(27-30)24(2,3)4)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)23-25-28-29-26-23/h6-13,16H,5,14-15H2,1-4H3,(H,25,26,28,29).
What are the key properties of 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole?
5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole has a molecular weight of 400.53 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(3-tert-butyl-1-propylpyrazol-5-yl)methyl]phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 10525041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).