1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea

C22H28N4O — CID 94187302

IUPAC1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
SMILESO=C(NC(C1CC1)C1CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C22H28N4O/c27-22(25-21(16-9-10-16)17-11-12-17)24-19-7-4-8-20-18(19)13-23-26(20)14-15-5-2-1-3-6-15/h1-3,5-6,13,16-17,19,21H,4,7-12,14H2,(H2,24,25,27)/t19-/m1/s1
InChIKeyUZEXGWSLHYBDEW-LJQANCHMSA-N
MW364.49 g/mol
LogP3.80
Rot. Bonds6

About 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea

1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea (PubChem CID 94187302) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea.

Molecular Properties

Compound Name1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
PubChem CID94187302
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
SMILESO=C(NC(C1CC1)C1CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C22H28N4O/c27-22(25-21(16-9-10-16)17-11-12-17)24-19-7-4-8-20-18(19)13-23-26(20)14-15-5-2-1-3-6-15/h1-3,5-6,13,16-17,19,21H,4,7-12,14H2,(H2,24,25,27)/t19-/m1/s1
InChIKeyUZEXGWSLHYBDEW-LJQANCHMSA-N
XLogP3.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-cyanophenyl)ethyl]urea
CID 55751536
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-thiazepane-4-carboxamide
CID 87007748
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methoxy-2-(oxan-4-yl)acetamide
CID 167830345
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
CID 167919793

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea?
The IUPAC name of 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea (CID 94187302) is 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea.
What is the SMILES notation for 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea?
The canonical SMILES for 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea is O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea?
The InChIKey is UZEXGWSLHYBDEW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(25-21(16-9-10-16)17-11-12-17)24-19-7-4-8-20-18(19)13-23-26(20)14-15-5-2-1-3-6-15/h1-3,5-6,13,16-17,19,21H,4,7-12,14H2,(H2,24,25,27)/t19-/m1/s1.
What are the key properties of 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea?
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea has a molecular weight of 364.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea is sourced from PubChem (CID 94187302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).