1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide

C21H25N5O — CID 42956215

IUPAC1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C21H25N5O/c1-14-20(15(2)26(24-14)13-16-8-5-4-6-9-16)21(27)23-18-10-7-11-19-17(18)12-22-25(19)3/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3,(H,23,27)
InChIKeyVVDLSSOGWPKPDY-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.09
Rot. Bonds4

About 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide (PubChem CID 42956215) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
PubChem CID42956215
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C21H25N5O/c1-14-20(15(2)26(24-14)13-16-8-5-4-6-9-16)21(27)23-18-10-7-11-19-17(18)12-22-25(19)3/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3,(H,23,27)
InChIKeyVVDLSSOGWPKPDY-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide (CID 42956215) is 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is VVDLSSOGWPKPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-20(15(2)26(24-14)13-16-8-5-4-6-9-16)21(27)23-18-10-7-11-19-17(18)12-22-25(19)3/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3,(H,23,27).
What are the key properties of 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42956215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).