1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C19H26N4O2 — CID 75383168

IUPAC1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCOc1ccc(CCCCNC(=O)NC2CCCc3cn[nH]c32)cc1
InChIInChI=1S/C19H26N4O2/c1-25-16-10-8-14(9-11-16)5-2-3-12-20-19(24)22-17-7-4-6-15-13-21-23-18(15)17/h8-11,13,17H,2-7,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyQDEYNEHVUOJJEV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.12
Rot. Bonds7

About 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 75383168) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID75383168
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCOc1ccc(CCCCNC(=O)NC2CCCc3cn[nH]c32)cc1
InChIInChI=1S/C19H26N4O2/c1-25-16-10-8-14(9-11-16)5-2-3-12-20-19(24)22-17-7-4-6-15-13-21-23-18(15)17/h8-11,13,17H,2-7,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyQDEYNEHVUOJJEV-UHFFFAOYSA-N
XLogP3.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 75482362
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
CID 119787790
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 154837315
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94441247
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
1-cyclopropyl-3-[4-(4-methoxyphenyl)butyl]-2-methylguanidine;hydroiodide
CID 111975099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 75383168) is 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is COc1ccc(CCCCNC(=O)NC2CCCc3cn[nH]c32)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is QDEYNEHVUOJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-16-10-8-14(9-11-16)5-2-3-12-20-19(24)22-17-7-4-6-15-13-21-23-18(15)17/h8-11,13,17H,2-7,12H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)butyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 75383168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).