1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea

C20H28N4O — CID 97138121

IUPAC1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)NC(C)C)cc1
InChIInChI=1S/C20H28N4O/c1-13(2)22-19(25)23-17-10-20(4,5)11-18-16(17)12-21-24(18)15-8-6-14(3)7-9-15/h6-9,12-13,17H,10-11H2,1-5H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyLCISZBGTXOHQKU-QGZVFWFLSA-N
MW340.47 g/mol
LogP3.90
Rot. Bonds3

About 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea

1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea (PubChem CID 97138121) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
PubChem CID97138121
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)NC(C)C)cc1
InChIInChI=1S/C20H28N4O/c1-13(2)22-19(25)23-17-10-20(4,5)11-18-16(17)12-21-24(18)15-8-6-14(3)7-9-15/h6-9,12-13,17H,10-11H2,1-5H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyLCISZBGTXOHQKU-QGZVFWFLSA-N
XLogP3.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
(E)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylpent-2-enamide
CID 42595969
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 24794171
4-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42160279
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42287055
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97124401
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 42382856
2-(1,3-benzodioxol-5-yl)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25460962
2-(4-acetylphenoxy)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42454747
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29184538

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea (CID 97138121) is 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)NC(C)C)cc1.
What is the InChIKey of 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea?
The InChIKey is LCISZBGTXOHQKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13(2)22-19(25)23-17-10-20(4,5)11-18-16(17)12-21-24(18)15-8-6-14(3)7-9-15/h6-9,12-13,17H,10-11H2,1-5H3,(H2,22,23,25)/t17-/m1/s1.
What are the key properties of 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea?
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea has a molecular weight of 340.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 97138121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).