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

C22H24N4O — CID 51939747

IUPAC1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O/c1-16-10-12-18(13-11-16)24-22(27)25-20-8-5-9-21-19(20)14-23-26(21)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H2,24,25,27)/t20-/m0/s1
InChIKeyRDTUAVRSJFZTEP-FQEVSTJZSA-N
MW360.46 g/mol
LogP4.44
Rot. Bonds4

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

1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea (PubChem CID 51939747) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
PubChem CID51939747
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O/c1-16-10-12-18(13-11-16)24-22(27)25-20-8-5-9-21-19(20)14-23-26(21)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H2,24,25,27)/t20-/m0/s1
InChIKeyRDTUAVRSJFZTEP-FQEVSTJZSA-N
XLogP4.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55622399
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 167868677
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
CID 167955144
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
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)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
CID 167919793
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46424726
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea (CID 51939747) is 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1.
What is the InChIKey of 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea?
The InChIKey is RDTUAVRSJFZTEP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-10-12-18(13-11-16)24-22(27)25-20-8-5-9-21-19(20)14-23-26(21)15-17-6-3-2-4-7-17/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H2,24,25,27)/t20-/m0/s1.
What are the key properties of 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea?
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea has a molecular weight of 360.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51939747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).