(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide

C18H19ClN4O2S — CID 100829318

IUPAC(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCc1nc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cs1
InChIInChI=1S/C18H19ClN4O2S/c1-3-16-21-13(11-26-16)9-20-17(24)12(2)25-18-15(19)10-23(22-18)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyVQMLYPWAHOISIX-GFCCVEGCSA-N
MW390.90 g/mol
LogP3.63
Rot. Bonds7

About (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide

(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 100829318) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID100829318
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCc1nc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cs1
InChIInChI=1S/C18H19ClN4O2S/c1-3-16-21-13(11-26-16)9-20-17(24)12(2)25-18-15(19)10-23(22-18)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyVQMLYPWAHOISIX-GFCCVEGCSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide (CID 100829318) is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide is CCc1nc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cs1.
What is the InChIKey of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is VQMLYPWAHOISIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-3-16-21-13(11-26-16)9-20-17(24)12(2)25-18-15(19)10-23(22-18)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3,(H,20,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide?
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 390.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 100829318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).