1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea

C14H24N4OS — CID 71990300

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea
SMILESCSC1CCC(NC(=O)NC(C)c2cn(C)nc2C)C1
InChIInChI=1S/C14H24N4OS/c1-9(13-8-18(3)17-10(13)2)15-14(19)16-11-5-6-12(7-11)20-4/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16,19)
InChIKeyUMLPCZOSFZSAFJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea (PubChem CID 71990300) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea
PubChem CID71990300
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea
SMILESCSC1CCC(NC(=O)NC(C)c2cn(C)nc2C)C1
InChIInChI=1S/C14H24N4OS/c1-9(13-8-18(3)17-10(13)2)15-14(19)16-11-5-6-12(7-11)20-4/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16,19)
InChIKeyUMLPCZOSFZSAFJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)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-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 95272461
N-cyclopropyl-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]acetamide
CID 65192220
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95767117
3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119741055
(1R,2R,3R,4R)-3-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124805817
(1R,2R,3S,4R)-3-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124805818
(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
CID 124739584
(1R,2R,4S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124811239
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97008370
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299043
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262260

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea (CID 71990300) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea is CSC1CCC(NC(=O)NC(C)c2cn(C)nc2C)C1.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea?
The InChIKey is UMLPCZOSFZSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(13-8-18(3)17-10(13)2)15-14(19)16-11-5-6-12(7-11)20-4/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea has a molecular weight of 296.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea is sourced from PubChem (CID 71990300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).