1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea

C15H20FN5O — CID 71856033

IUPAC1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H20FN5O/c1-19(2)8-9-20(3)15(22)18-12-10-17-21(11-12)14-7-5-4-6-13(14)16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeySJWTVAGDTXLMMT-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea

1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea (PubChem CID 71856033) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea
PubChem CID71856033
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H20FN5O/c1-19(2)8-9-20(3)15(22)18-12-10-17-21(11-12)14-7-5-4-6-13(14)16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeySJWTVAGDTXLMMT-UHFFFAOYSA-N
XLogP2.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea 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

N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
1-Phenyl-1H-pyrazol-4-amine
CID 121021
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-(tert-Butyl)-4-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxamide
CID 44588428
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)urea
CID 122455265
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(2-fluorophenyl)urea
CID 122494828
N-[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-N'-(4-fluorophenyl)urea
CID 2808016
N-[2-(1-phenylpyrazol-3-yl)ethyl]azetidine-1-carboxamide
CID 53594758
1-(2-Fluorophenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea
CID 71807479
US10590075, Example 13
CID 129301849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea (CID 71856033) is 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea is CN(C)CCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea?
The InChIKey is SJWTVAGDTXLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-19(2)8-9-20(3)15(22)18-12-10-17-21(11-12)14-7-5-4-6-13(14)16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea?
1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea has a molecular weight of 305.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea is sourced from PubChem (CID 71856033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).