1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

C15H21N5O2 — CID 111111694

IUPAC1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cnn(CCO)c2)ccc1N(C)C
InChIInChI=1S/C15H21N5O2/c1-11-8-12(4-5-14(11)19(2)3)17-15(22)18-13-9-16-20(10-13)6-7-21/h4-5,8-10,21H,6-7H2,1-3H3,(H2,17,18,22)
InChIKeyOYLRTWXDEVIKIG-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 111111694) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID111111694
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cnn(CCO)c2)ccc1N(C)C
InChIInChI=1S/C15H21N5O2/c1-11-8-12(4-5-14(11)19(2)3)17-15(22)18-13-9-16-20(10-13)6-7-21/h4-5,8-10,21H,6-7H2,1-3H3,(H2,17,18,22)
InChIKeyOYLRTWXDEVIKIG-UHFFFAOYSA-N
XLogP1.89
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 111430926
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(4-fluoro-3-methylphenyl)urea
CID 111431651
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 111431072
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2,5-dimethylphenyl)urea
CID 111430893
1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 111111694) is 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is Cc1cc(NC(=O)Nc2cnn(CCO)c2)ccc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is OYLRTWXDEVIKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-8-12(4-5-14(11)19(2)3)17-15(22)18-13-9-16-20(10-13)6-7-21/h4-5,8-10,21H,6-7H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 303.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 111111694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).