(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

C18H18ClN3O2S — CID 35673332

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-12-10-14(5-6-16(12)19)24-13(2)18(23)21-17-7-8-20-22(17)11-15-4-3-9-25-15/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyGOVJKDABTQEOQR-CYBMUJFWSA-N
MW375.88 g/mol
LogP4.36
Rot. Bonds6

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 35673332) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID35673332
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-12-10-14(5-6-16(12)19)24-13(2)18(23)21-17-7-8-20-22(17)11-15-4-3-9-25-15/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyGOVJKDABTQEOQR-CYBMUJFWSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 51064434
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35672413
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide
CID 9362332
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (CID 35673332) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)ccc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is GOVJKDABTQEOQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-12-10-14(5-6-16(12)19)24-13(2)18(23)21-17-7-8-20-22(17)11-15-4-3-9-25-15/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 375.88 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 35673332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).