1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea

C19H22N4O2 — CID 111475603

IUPAC1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NCC(O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H22N4O2/c1-2-9-23-13-17(11-21-23)22-19(25)20-12-18(24)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10-11,13,18,24H,2,9,12H2,1H3,(H2,20,22,25)
InChIKeyUEUIWSAONCHKNL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds6

About 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea

1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea (PubChem CID 111475603) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
PubChem CID111475603
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NCC(O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H22N4O2/c1-2-9-23-13-17(11-21-23)22-19(25)20-12-18(24)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10-11,13,18,24H,2,9,12H2,1H3,(H2,20,22,25)
InChIKeyUEUIWSAONCHKNL-UHFFFAOYSA-N
XLogP3.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 94031186
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111578722
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
CID 95188947
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
CID 111111436

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea (CID 111475603) is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea is CCCn1cc(NC(=O)NCC(O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea?
The InChIKey is UEUIWSAONCHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-9-23-13-17(11-21-23)22-19(25)20-12-18(24)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10-11,13,18,24H,2,9,12H2,1H3,(H2,20,22,25).
What are the key properties of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea?
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea is sourced from PubChem (CID 111475603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).