1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea

C24H24N6O — CID 167919793

IUPAC1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1-n1cccn1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H24N6O/c31-24(28-21-10-4-5-12-23(21)29-15-7-14-25-29)27-20-11-6-13-22-19(20)16-26-30(22)17-18-8-2-1-3-9-18/h1-5,7-10,12,14-16,20H,6,11,13,17H2,(H2,27,28,31)
InChIKeyXEROFMDKRFAMLQ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.32
Rot. Bonds5

About 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea

1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 167919793) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID167919793
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1-n1cccn1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C24H24N6O/c31-24(28-21-10-4-5-12-23(21)29-15-7-14-25-29)27-20-11-6-13-22-19(20)16-26-30(22)17-18-8-2-1-3-9-18/h1-5,7-10,12,14-16,20H,6,11,13,17H2,(H2,27,28,31)
InChIKeyXEROFMDKRFAMLQ-UHFFFAOYSA-N
XLogP4.32
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
CID 167955144
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
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
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
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
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 167868677
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 92581553

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea (CID 167919793) is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea is O=C(Nc1ccccc1-n1cccn1)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is XEROFMDKRFAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c31-24(28-21-10-4-5-12-23(21)29-15-7-14-25-29)27-20-11-6-13-22-19(20)16-26-30(22)17-18-8-2-1-3-9-18/h1-5,7-10,12,14-16,20H,6,11,13,17H2,(H2,27,28,31).
What are the key properties of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea?
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 412.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 167919793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).