1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

C18H19N5OS — CID 58243025

IUPAC1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Nc3scnc3C)cc2)n1
InChIInChI=1S/C18H19N5OS/c1-11-9-16(13-3-4-13)23(22-11)15-7-5-14(6-8-15)20-18(24)21-17-12(2)19-10-25-17/h5-10,13H,3-4H2,1-2H3,(H2,20,21,24)
InChIKeyGDJXSNZUEAEFDF-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (PubChem CID 58243025) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
PubChem CID58243025
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Nc3scnc3C)cc2)n1
InChIInChI=1S/C18H19N5OS/c1-11-9-16(13-3-4-13)23(22-11)15-7-5-14(6-8-15)20-18(24)21-17-12(2)19-10-25-17/h5-10,13H,3-4H2,1-2H3,(H2,20,21,24)
InChIKeyGDJXSNZUEAEFDF-UHFFFAOYSA-N
XLogP4.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 58242966
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-4-ylacetamide
CID 58242945
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 158945515
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
CID 123743286
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 58254467
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 72933390
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 162150719
1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 143899936
N-[6-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-pyridinyl]-2-pyridin-4-ylacetamide
CID 58243034
(1R,6S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 118794355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (CID 58243025) is 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is Cc1cc(C2CC2)n(-c2ccc(NC(=O)Nc3scnc3C)cc2)n1.
What is the InChIKey of 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The InChIKey is GDJXSNZUEAEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-9-16(13-3-4-13)23(22-11)15-7-5-14(6-8-15)20-18(24)21-17-12(2)19-10-25-17/h5-10,13H,3-4H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea has a molecular weight of 353.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 58243025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).