5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide

C18H18ClN3O2S — CID 46105080

IUPAC5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C18H18ClN3O2S/c1-3-9-22-15(16-7-8-17(19)25-16)11-14(21-22)18(23)20-12-5-4-6-13(10-12)24-2/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)
InChIKeyQNNGHSQEZQLXHF-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.94
Rot. Bonds6

About 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide (PubChem CID 46105080) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide
PubChem CID46105080
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C18H18ClN3O2S/c1-3-9-22-15(16-7-8-17(19)25-16)11-14(21-22)18(23)20-12-5-4-6-13(10-12)24-2/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)
InChIKeyQNNGHSQEZQLXHF-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 15740358
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
CID 60584119
N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide (CID 46105080) is 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide?
The InChIKey is QNNGHSQEZQLXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-3-9-22-15(16-7-8-17(19)25-16)11-14(21-22)18(23)20-12-5-4-6-13(10-12)24-2/h4-8,10-11H,3,9H2,1-2H3,(H,20,23).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 46105080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).