1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea

C15H24N4OS — CID 24574468

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea
SMILESS=C(NCC1CCCO1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H24N4OS/c21-15(16-11-13-7-4-10-20-13)18-14-8-9-17-19(14)12-5-2-1-3-6-12/h8-9,12-13H,1-7,10-11H2,(H2,16,18,21)
InChIKeyVENYVUPHWJKSKH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea

1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea (PubChem CID 24574468) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea
PubChem CID24574468
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea
SMILESS=C(NCC1CCCO1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H24N4OS/c21-15(16-11-13-7-4-10-20-13)18-14-8-9-17-19(14)12-5-2-1-3-6-12/h8-9,12-13H,1-7,10-11H2,(H2,16,18,21)
InChIKeyVENYVUPHWJKSKH-UHFFFAOYSA-N
XLogP2.85
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 24574471
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56741886
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
1-(1-benzylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 4768948
1-(1-benzylpyrazol-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389953
1-(3-chloro-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 3627232
1-(oxolan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 2957058
1-(2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 886428
1-[[(2S)-oxolan-2-yl]methyl]-3-(4-piperidin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)thiourea
CID 100777946
1-(2-aminophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 131865654
4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]benzoic acid
CID 1133426
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea (CID 24574468) is 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea is S=C(NCC1CCCO1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea?
The InChIKey is VENYVUPHWJKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c21-15(16-11-13-7-4-10-20-13)18-14-8-9-17-19(14)12-5-2-1-3-6-12/h8-9,12-13H,1-7,10-11H2,(H2,16,18,21).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea?
1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea has a molecular weight of 308.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea is sourced from PubChem (CID 24574468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).