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

C14H18N4O2 — CID 102807086

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1nn(C)cc1NC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C14H18N4O2/c1-9-13(8-18(3)17-9)16-14(20)15-12-6-4-11(5-7-12)10(2)19/h4-8,10,19H,1-3H3,(H2,15,16,20)
InChIKeyMXKCFCADGXNVHY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.43
Rot. Bonds3

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

1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 102807086) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID102807086
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1nn(C)cc1NC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C14H18N4O2/c1-9-13(8-18(3)17-9)16-14(20)15-12-6-4-11(5-7-12)10(2)19/h4-8,10,19H,1-3H3,(H2,15,16,20)
InChIKeyMXKCFCADGXNVHY-UHFFFAOYSA-N
XLogP2.43
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 102807086) is 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea is Cc1nn(C)cc1NC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is MXKCFCADGXNVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(8-18(3)17-9)16-14(20)15-12-6-4-11(5-7-12)10(2)19/h4-8,10,19H,1-3H3,(H2,15,16,20).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 102807086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).