1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

C14H18N4O2 — CID 61341795

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H18N4O2/c1-8-13(9(2)18-17-8)16-14(20)15-12-6-4-5-11(7-12)10(3)19/h4-7,10,19H,1-3H3,(H,17,18)(H2,15,16,20)
InChIKeyOSIBZTGYKWXXCQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.72
Rot. Bonds3

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61341795) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61341795
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H18N4O2/c1-8-13(9(2)18-17-8)16-14(20)15-12-6-4-5-11(7-12)10(3)19/h4-7,10,19H,1-3H3,(H,17,18)(H2,15,16,20)
InChIKeyOSIBZTGYKWXXCQ-UHFFFAOYSA-N
XLogP2.72
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
CID 75434348
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 75434351
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61341795) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is Cc1n[nH]c(C)c1NC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is OSIBZTGYKWXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-13(9(2)18-17-8)16-14(20)15-12-6-4-5-11(7-12)10(3)19/h4-7,10,19H,1-3H3,(H,17,18)(H2,15,16,20).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61341795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).