1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

C25H29N7O — CID 10575246

About 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 10575246) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 10575246
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
• SMILES: CCCCn1nc(C(C)C)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H29N7O/c1-4-5-14-32-21(22(24(26)33)23(29-32)16(2)3)15-17-10-12-18(13-11-17)19-8-6-7-9-20(19)25-27-30-31-28-25/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,33)(H,27,28,30,31)
• InChIKey: GGXKHQNPLUVBAA-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide (CID 10575246) is 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide is CCCCn1nc(C(C)C)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?

The InChIKey is GGXKHQNPLUVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-4-5-14-32-21(22(24(26)33)23(29-32)16(2)3)15-17-10-12-18(13-11-17)19-8-6-7-9-20(19)25-27-30-31-28-25/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,33)(H,27,28,30,31).

What are the key properties of 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?

1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 10575246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).