1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea

C17H23N5O — CID 47051834

IUPAC1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(N3CCCC3)cc2C)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-12-14(11-18-22)19-17(23)20-16-7-6-15(10-13(16)2)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,20,23)
InChIKeyPYZICQZTLTWLLV-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.46
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea

1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (PubChem CID 47051834) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
PubChem CID47051834
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(N3CCCC3)cc2C)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-12-14(11-18-22)19-17(23)20-16-7-6-15(10-13(16)2)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,20,23)
InChIKeyPYZICQZTLTWLLV-UHFFFAOYSA-N
XLogP3.46
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)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-(1-ethylpyrazol-4-yl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea
CID 47051831
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111925893
1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]urea
CID 55570624
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 48741053
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 110890877
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-nitrophenyl)urea
CID 78786353

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (CID 47051834) is 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is CCn1cc(NC(=O)Nc2ccc(N3CCCC3)cc2C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The InChIKey is PYZICQZTLTWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-22-12-14(11-18-22)19-17(23)20-16-7-6-15(10-13(16)2)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea has a molecular weight of 313.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 47051834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).