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

C13H16N4O2 — CID 61340878

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(18)10-3-5-11(6-4-10)15-13(19)16-12-7-14-17(2)8-12/h3-9,18H,1-2H3,(H2,15,16,19)
InChIKeyPFUKTGNYWLZBQC-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.12
Rot. Bonds3

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

1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 61340878) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID61340878
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(18)10-3-5-11(6-4-10)15-13(19)16-12-7-14-17(2)8-12/h3-9,18H,1-2H3,(H2,15,16,19)
InChIKeyPFUKTGNYWLZBQC-UHFFFAOYSA-N
XLogP2.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 107795953
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea (CID 61340878) is 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea is CC(O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is PFUKTGNYWLZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(18)10-3-5-11(6-4-10)15-13(19)16-12-7-14-17(2)8-12/h3-9,18H,1-2H3,(H2,15,16,19).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 61340878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).