N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide

C21H25N5O — CID 24791220

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1cn[nH]c1C
InChIInChI=1S/C21H25N5O/c1-13-7-5-6-8-18(13)26-19-10-21(3,4)9-17(16(19)12-23-26)24-20(27)15-11-22-25-14(15)2/h5-8,11-12,17H,9-10H2,1-4H3,(H,22,25)(H,24,27)
InChIKeyOUOBARFMIPCZIC-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.66
Rot. Bonds3

About N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 24791220) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID24791220
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1cn[nH]c1C
InChIInChI=1S/C21H25N5O/c1-13-7-5-6-8-18(13)26-19-10-21(3,4)9-17(16(19)12-23-26)24-20(27)15-11-22-25-14(15)2/h5-8,11-12,17H,9-10H2,1-4H3,(H,22,25)(H,24,27)
InChIKeyOUOBARFMIPCZIC-UHFFFAOYSA-N
XLogP3.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 24791220) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1cn[nH]c1C.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OUOBARFMIPCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-7-5-6-8-18(13)26-19-10-21(3,4)9-17(16(19)12-23-26)24-20(27)15-11-22-25-14(15)2/h5-8,11-12,17H,9-10H2,1-4H3,(H,22,25)(H,24,27).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24791220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).