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

C22H27N5O — CID 24820091

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H27N5O/c1-14-8-9-18(10-15(14)2)27-21-7-5-6-20(19(21)12-23-27)24-22(28)13-26-17(4)11-16(3)25-26/h8-12,20H,5-7,13H2,1-4H3,(H,24,28)
InChIKeyUXMBDCCKVYUUQS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.50
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 24820091) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID24820091
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H27N5O/c1-14-8-9-18(10-15(14)2)27-21-7-5-6-20(19(21)12-23-27)24-22(28)13-26-17(4)11-16(3)25-26/h8-12,20H,5-7,13H2,1-4H3,(H,24,28)
InChIKeyUXMBDCCKVYUUQS-UHFFFAOYSA-N
XLogP3.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 24820091) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is UXMBDCCKVYUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-8-9-18(10-15(14)2)27-21-7-5-6-20(19(21)12-23-27)24-22(28)13-26-17(4)11-16(3)25-26/h8-12,20H,5-7,13H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 24820091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).