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

C19H26N4O2 — CID 110892499

IUPAC1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-15(13-24)21-19(25)22-17-9-6-10-18-16(17)11-20-23(18)12-14-7-4-3-5-8-14/h3-5,7-8,11,15,17,24H,2,6,9-10,12-13H2,1H3,(H2,21,22,25)
InChIKeyZYWYRFPONXBYBO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.38
Rot. Bonds6

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

1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110892499) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID110892499
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-15(13-24)21-19(25)22-17-9-6-10-18-16(17)11-20-23(18)12-14-7-4-3-5-8-14/h3-5,7-8,11,15,17,24H,2,6,9-10,12-13H2,1H3,(H2,21,22,25)
InChIKeyZYWYRFPONXBYBO-UHFFFAOYSA-N
XLogP2.38
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
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
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-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 167868677
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-thiazepane-4-carboxamide
CID 87007748
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea (CID 110892499) is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is ZYWYRFPONXBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-15(13-24)21-19(25)22-17-9-6-10-18-16(17)11-20-23(18)12-14-7-4-3-5-8-14/h3-5,7-8,11,15,17,24H,2,6,9-10,12-13H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea?
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).