1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea

C13H16N4O2 — CID 110483127

IUPAC1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)n(CCO)n1
InChIInChI=1S/C13H16N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H2,14,15,19)
InChIKeyGUCZUQKEHDCPMA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea

1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea (PubChem CID 110483127) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
PubChem CID110483127
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)n(CCO)n1
InChIInChI=1S/C13H16N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H2,14,15,19)
InChIKeyGUCZUQKEHDCPMA-UHFFFAOYSA-N
XLogP1.83
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea?
The IUPAC name of 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea (CID 110483127) is 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea is Cc1cc(NC(=O)Nc2ccccc2)n(CCO)n1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea?
The InChIKey is GUCZUQKEHDCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H2,14,15,19).
What are the key properties of 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea?
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea has a molecular weight of 260.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea is sourced from PubChem (CID 110483127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).