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

C19H23N7O — CID 167955144

IUPAC1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1
InChIInChI=1S/C19H23N7O/c1-2-25-13-18(23-24-25)22-19(27)21-16-9-6-10-17-15(16)11-20-26(17)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3,(H2,21,22,27)
InChIKeyLKMILCDRDNULKV-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.74
Rot. Bonds5

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

1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea (PubChem CID 167955144) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
PubChem CID167955144
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1
InChIInChI=1S/C19H23N7O/c1-2-25-13-18(23-24-25)22-19(27)21-16-9-6-10-17-15(16)11-20-26(17)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3,(H2,21,22,27)
InChIKeyLKMILCDRDNULKV-UHFFFAOYSA-N
XLogP2.74
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-hydroxybutan-2-yl)urea
CID 110892499
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-(2-pyrazol-1-ylphenyl)urea
CID 167919793
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 167868677
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-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 167798452
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-thiazepane-4-carboxamide
CID 87007748
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
CID 167989084
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea (CID 167955144) is 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea is CCn1cc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1.
What is the InChIKey of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea?
The InChIKey is LKMILCDRDNULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-2-25-13-18(23-24-25)22-19(27)21-16-9-6-10-17-15(16)11-20-26(17)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3,(H2,21,22,27).
What are the key properties of 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea?
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea has a molecular weight of 365.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea is sourced from PubChem (CID 167955144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).