4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine

C19H23ClN4OS — CID 67262086

IUPAC4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine
SMILESCCC/N=c1\cc(-c2cn(CC(C)C)nc2-c2ccc(Cl)s2)ccn1O
InChIInChI=1S/C19H23ClN4OS/c1-4-8-21-18-10-14(7-9-24(18)25)15-12-23(11-13(2)3)22-19(15)16-5-6-17(20)26-16/h5-7,9-10,12-13,25H,4,8,11H2,1-3H3/b21-18+
InChIKeyAJPOEBRQLJAWKW-DYTRJAOYSA-N
MW390.94 g/mol
LogP4.94
Rot. Bonds6

About 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine

4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine (PubChem CID 67262086) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine.

Molecular Properties

Compound Name4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine
PubChem CID67262086
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine
SMILESCCC/N=c1\cc(-c2cn(CC(C)C)nc2-c2ccc(Cl)s2)ccn1O
InChIInChI=1S/C19H23ClN4OS/c1-4-8-21-18-10-14(7-9-24(18)25)15-12-23(11-13(2)3)22-19(15)16-5-6-17(20)26-16/h5-7,9-10,12-13,25H,4,8,11H2,1-3H3/b21-18+
InChIKeyAJPOEBRQLJAWKW-DYTRJAOYSA-N
XLogP4.94
TPSA55.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
CID 123388846
N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 67261450
N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492694
4-[3-(3-chlorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
CID 67106419
3-(5-chlorothiophen-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61272269
N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide
CID 67261117
3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43328609
3-(4-bromo-2-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82774432
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
CID 117259368
2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
N-[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465098

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine?
The IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine (CID 67262086) is 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine.
What is the SMILES notation for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine?
The canonical SMILES for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine is CCC/N=c1\cc(-c2cn(CC(C)C)nc2-c2ccc(Cl)s2)ccn1O.
What is the InChIKey of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine?
The InChIKey is AJPOEBRQLJAWKW-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-4-8-21-18-10-14(7-9-24(18)25)15-12-23(11-13(2)3)22-19(15)16-5-6-17(20)26-16/h5-7,9-10,12-13,25H,4,8,11H2,1-3H3/b21-18+.
What are the key properties of 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine?
4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine has a molecular weight of 390.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1-hydroxy-N-propylpyridin-2-imine is sourced from PubChem (CID 67262086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).