3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide

C19H26N4O4S — CID 53143017

IUPAC3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(OC)c2)c(S(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H26N4O4S/c1-3-22-14-17(18(24)20-15-9-8-10-16(13-15)27-2)19(21-22)28(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24)
InChIKeyYSNPWAAGSUFLNM-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.73
Rot. Bonds6

About 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide

3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 53143017) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID53143017
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(OC)c2)c(S(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H26N4O4S/c1-3-22-14-17(18(24)20-15-9-8-10-16(13-15)27-2)19(21-22)28(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24)
InChIKeyYSNPWAAGSUFLNM-UHFFFAOYSA-N
XLogP2.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142683
3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
CID 53142985
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide (CID 53143017) is 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(OC)c2)c(S(=O)(=O)N2CCCCCC2)n1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is YSNPWAAGSUFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-3-22-14-17(18(24)20-15-9-8-10-16(13-15)27-2)19(21-22)28(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide?
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53143017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).