N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

C20H23N5O — CID 24793131

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-13-9-16(24-23-13)19(26)22-17-10-20(2,3)11-18-15(17)12-21-25(18)14-7-5-4-6-8-14/h4-9,12,17H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyNEBUCBBLXVCXJQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.35
Rot. Bonds3

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 24793131) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID24793131
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-13-9-16(24-23-13)19(26)22-17-10-20(2,3)11-18-15(17)12-21-25(18)14-7-5-4-6-8-14/h4-9,12,17H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyNEBUCBBLXVCXJQ-UHFFFAOYSA-N
XLogP3.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.35
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-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 24793131) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NEBUCBBLXVCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-9-16(24-23-13)19(26)22-17-10-20(2,3)11-18-15(17)12-21-25(18)14-7-5-4-6-8-14/h4-9,12,17H,10-11H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.35, 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-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).