3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea

C18H23N5OS — CID 125156602

IUPAC3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccnn1C[C@@H]1CC=CCC1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H23N5OS/c24-18(22(15-6-7-15)13-17-19-10-11-25-17)21-16-8-9-20-23(16)12-14-4-2-1-3-5-14/h1-2,8-11,14-15H,3-7,12-13H2,(H,21,24)/t14-/m1/s1
InChIKeyOWAUHCSJOXOBLG-CQSZACIVSA-N
MW357.48 g/mol
LogP3.89
Rot. Bonds6

About 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea

3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 125156602) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID125156602
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccnn1C[C@@H]1CC=CCC1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H23N5OS/c24-18(22(15-6-7-15)13-17-19-10-11-25-17)21-16-8-9-20-23(16)12-14-4-2-1-3-5-14/h1-2,8-11,14-15H,3-7,12-13H2,(H,21,24)/t14-/m1/s1
InChIKeyOWAUHCSJOXOBLG-CQSZACIVSA-N
XLogP3.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 150356043
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N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
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1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125179560
N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72930262
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
N-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea (CID 125156602) is 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea is O=C(Nc1ccnn1C[C@@H]1CC=CCC1)N(Cc1nccs1)C1CC1.
What is the InChIKey of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is OWAUHCSJOXOBLG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-18(22(15-6-7-15)13-17-19-10-11-25-17)21-16-8-9-20-23(16)12-14-4-2-1-3-5-14/h1-2,8-11,14-15H,3-7,12-13H2,(H,21,24)/t14-/m1/s1.
What are the key properties of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea?
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 357.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 125156602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).