1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C17H22N4O2 — CID 97064386

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCn1nc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C
InChIInChI=1S/C17H22N4O2/c1-4-21-11(3)15(10(2)20-21)18-17(23)19-16-13-8-6-5-7-12(13)9-14(16)22/h5-8,14,16,22H,4,9H2,1-3H3,(H2,18,19,23)/t14-,16+/m0/s1
InChIKeyYFRUHEFJRGQIDV-GOEBONIOSA-N
MW314.39 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97064386) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97064386
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCn1nc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C
InChIInChI=1S/C17H22N4O2/c1-4-21-11(3)15(10(2)20-21)18-17(23)19-16-13-8-6-5-7-12(13)9-14(16)22/h5-8,14,16,22H,4,9H2,1-3H3,(H2,18,19,23)/t14-,16+/m0/s1
InChIKeyYFRUHEFJRGQIDV-GOEBONIOSA-N
XLogP2.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 52860459
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CID 91649382
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
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CID 75523399
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 50959356
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
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N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 97064386) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCn1nc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is YFRUHEFJRGQIDV-GOEBONIOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21-11(3)15(10(2)20-21)18-17(23)19-16-13-8-6-5-7-12(13)9-14(16)22/h5-8,14,16,22H,4,9H2,1-3H3,(H2,18,19,23)/t14-,16+/m0/s1.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97064386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).