N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide

C21H25N5O — CID 24791863

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
InChIInChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27)
InChIKeyBYIUTBBPZFVDJL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.34
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 24791863) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID24791863
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
InChIInChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27)
InChIKeyBYIUTBBPZFVDJL-UHFFFAOYSA-N
XLogP3.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 24791863) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BYIUTBBPZFVDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24791863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).