1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide

C23H23N7O — CID 78873492

IUPAC1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H23N7O/c1-2-21-20(14-24-29(21)15-16-6-4-3-5-7-16)23(31)25-18-10-8-17(9-11-18)22-26-27-28-30(22)19-12-13-19/h3-11,14,19H,2,12-13,15H2,1H3,(H,25,31)
InChIKeyJTOOECGVSKHTEW-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.73
Rot. Bonds7

About 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78873492) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78873492
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H23N7O/c1-2-21-20(14-24-29(21)15-16-6-4-3-5-7-16)23(31)25-18-10-8-17(9-11-18)22-26-27-28-30(22)19-12-13-19/h3-11,14,19H,2,12-13,15H2,1H3,(H,25,31)
InChIKeyJTOOECGVSKHTEW-UHFFFAOYSA-N
XLogP3.73
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide (CID 78873492) is 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is JTOOECGVSKHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-2-21-20(14-24-29(21)15-16-6-4-3-5-7-16)23(31)25-18-10-8-17(9-11-18)22-26-27-28-30(22)19-12-13-19/h3-11,14,19H,2,12-13,15H2,1H3,(H,25,31).
What are the key properties of 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).