1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea

C16H23N5OS — CID 56794173

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1
InChIInChI=1S/C16H23N5OS/c1-2-13(15-17-10-11-23-15)19-16(22)20-14-8-9-18-21(14)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3,(H2,19,20,22)
InChIKeyXWQOFXKXJYQBMD-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea

1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 56794173) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID56794173
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1
InChIInChI=1S/C16H23N5OS/c1-2-13(15-17-10-11-23-15)19-16(22)20-14-8-9-18-21(14)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3,(H2,19,20,22)
InChIKeyXWQOFXKXJYQBMD-UHFFFAOYSA-N
XLogP4.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]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-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424885
1-(1,3-oxazol-2-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97307926
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596974
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64799570
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111506596

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea (CID 56794173) is 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is XWQOFXKXJYQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-2-13(15-17-10-11-23-15)19-16(22)20-14-8-9-18-21(14)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 333.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 56794173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).