1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea

C20H26N4O — CID 124733221

IUPAC1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C20H26N4O/c1-4-6-14-7-5-8-17(13(2)3)19(14)23-20(25)22-16-10-9-15-12-21-24-18(15)11-16/h4-5,7-8,12-13,16H,1,6,9-11H2,2-3H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1
InChIKeyKRFXFFSVIMXGIA-MRXNPFEDSA-N
MW338.46 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea

1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea (PubChem CID 124733221) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea.

Molecular Properties

Compound Name1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea
PubChem CID124733221
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C20H26N4O/c1-4-6-14-7-5-8-17(13(2)3)19(14)23-20(25)22-16-10-9-15-12-21-24-18(15)11-16/h4-5,7-8,12-13,16H,1,6,9-11H2,2-3H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1
InChIKeyKRFXFFSVIMXGIA-MRXNPFEDSA-N
XLogP3.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
CID 124623277
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136514487
2-(2-fluorophenyl)-2-morpholin-4-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 127463357
N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124860523
methyl 5-[[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]carbamoylamino]thiophene-3-carboxylate
CID 124889142
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 5008117
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136584840
(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
CID 124886358
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124738271

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea?
The IUPAC name of 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea (CID 124733221) is 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea.
What is the SMILES notation for 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea?
The canonical SMILES for 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea is C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2cn[nH]c2C1.
What is the InChIKey of 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea?
The InChIKey is KRFXFFSVIMXGIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-6-14-7-5-8-17(13(2)3)19(14)23-20(25)22-16-10-9-15-12-21-24-18(15)11-16/h4-5,7-8,12-13,16H,1,6,9-11H2,2-3H3,(H,21,24)(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea?
1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea has a molecular weight of 338.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea is sourced from PubChem (CID 124733221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).