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

C14H16N4O — CID 97228997

IUPAC1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
SMILESO=C(Nc1ccccc1)N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C14H16N4O/c19-14(16-11-6-2-1-3-7-11)17-12-8-4-5-10-9-15-18-13(10)12/h1-3,6-7,9,12H,4-5,8H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1
InChIKeyHHEPZUFELBJLQB-LBPRGKRZSA-N
MW256.31 g/mol
LogP2.61
Rot. Bonds2

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

1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea (PubChem CID 97228997) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
PubChem CID97228997
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
SMILESO=C(Nc1ccccc1)N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C14H16N4O/c19-14(16-11-6-2-1-3-7-11)17-12-8-4-5-10-9-15-18-13(10)12/h1-3,6-7,9,12H,4-5,8H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1
InChIKeyHHEPZUFELBJLQB-LBPRGKRZSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
1-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 75482362
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065
5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
CID 122007006
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 125136371
1-benzoyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-4-carboxamide
CID 136515751
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
1-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 124888376
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The IUPAC name of 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea (CID 97228997) is 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea.
What is the SMILES notation for 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The canonical SMILES for 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea is O=C(Nc1ccccc1)N[C@H]1CCCc2cn[nH]c21.
What is the InChIKey of 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The InChIKey is HHEPZUFELBJLQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(16-11-6-2-1-3-7-11)17-12-8-4-5-10-9-15-18-13(10)12/h1-3,6-7,9,12H,4-5,8H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1.
What are the key properties of 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea is sourced from PubChem (CID 97228997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).