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

C14H14N4O2 — CID 111104602

IUPAC1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESC#Cc1cccc(NC(=O)Nc2cnn(CCO)c2)c1
InChIInChI=1S/C14H14N4O2/c1-2-11-4-3-5-12(8-11)16-14(20)17-13-9-15-18(10-13)6-7-19/h1,3-5,8-10,19H,6-7H2,(H2,16,17,20)
InChIKeyDHZUFCLMHGRMMW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.50
Rot. Bonds4

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

1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 111104602) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID111104602
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESC#Cc1cccc(NC(=O)Nc2cnn(CCO)c2)c1
InChIInChI=1S/C14H14N4O2/c1-2-11-4-3-5-12(8-11)16-14(20)17-13-9-15-18(10-13)6-7-19/h1,3-5,8-10,19H,6-7H2,(H2,16,17,20)
InChIKeyDHZUFCLMHGRMMW-UHFFFAOYSA-N
XLogP1.50
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 75481972
1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
N-[3-[(3-ethynylphenyl)carbamoylamino]propyl]acetamide
CID 47033358
1-(3-ethynylphenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473534
3-[(3-ethynylphenyl)carbamoylamino]benzoic acid
CID 61192538

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 111104602) is 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is C#Cc1cccc(NC(=O)Nc2cnn(CCO)c2)c1.
What is the InChIKey of 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is DHZUFCLMHGRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-11-4-3-5-12(8-11)16-14(20)17-13-9-15-18(10-13)6-7-19/h1,3-5,8-10,19H,6-7H2,(H2,16,17,20).
What are the key properties of 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 270.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 111104602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).