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

C22H27N5O — CID 24791756

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C22H27N5O/c1-5-26-21(12-16(4)25-26)22(28)24-19-7-6-8-20-18(19)13-23-27(20)17-10-9-14(2)15(3)11-17/h9-13,19H,5-8H2,1-4H3,(H,24,28)
InChIKeyMSQBIWAVDKVGAJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.82
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 24791756) 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-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID24791756
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C22H27N5O/c1-5-26-21(12-16(4)25-26)22(28)24-19-7-6-8-20-18(19)13-23-27(20)17-10-9-14(2)15(3)11-17/h9-13,19H,5-8H2,1-4H3,(H,24,28)
InChIKeyMSQBIWAVDKVGAJ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 24791756) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is MSQBIWAVDKVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-26-21(12-16(4)25-26)22(28)24-19-7-6-8-20-18(19)13-23-27(20)17-10-9-14(2)15(3)11-17/h9-13,19H,5-8H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.82, 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-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24791756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).