1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea

C12H14N4O2 — CID 61341794

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C12H14N4O2/c1-8(17)9-2-4-10(5-3-9)15-12(18)16-11-6-13-14-7-11/h2-8,17H,1H3,(H,13,14)(H2,15,16,18)
InChIKeyQPVJKJQXXHADDA-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 61341794) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID61341794
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C12H14N4O2/c1-8(17)9-2-4-10(5-3-9)15-12(18)16-11-6-13-14-7-11/h2-8,17H,1H3,(H,13,14)(H2,15,16,18)
InChIKeyQPVJKJQXXHADDA-UHFFFAOYSA-N
XLogP2.11
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 61346278
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 47085454
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94174229
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea (CID 61341794) is 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea is CC(O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is QPVJKJQXXHADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(17)9-2-4-10(5-3-9)15-12(18)16-11-6-13-14-7-11/h2-8,17H,1H3,(H,13,14)(H2,15,16,18).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 246.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 61341794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).