3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

C23H27N3OS — CID 55501382

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)n1
InChIInChI=1S/C23H27N3OS/c1-16-14-17(2)26(25-16)12-11-22(27)24-23(21-8-5-13-28-21)20-10-9-18-6-3-4-7-19(18)15-20/h5,8-10,13-15,23H,3-4,6-7,11-12H2,1-2H3,(H,24,27)
InChIKeyWKSMVEXWDCSDEC-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.74
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (PubChem CID 55501382) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
PubChem CID55501382
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)n1
InChIInChI=1S/C23H27N3OS/c1-16-14-17(2)26(25-16)12-11-22(27)24-23(21-8-5-13-28-21)20-10-9-18-6-3-4-7-19(18)15-20/h5,8-10,13-15,23H,3-4,6-7,11-12H2,1-2H3,(H,24,27)
InChIKeyWKSMVEXWDCSDEC-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553076
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 42951570
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 30906519
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 60586091
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553091
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
ethyl 4-[[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24553056
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (CID 55501382) is 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is Cc1cc(C)n(CCC(=O)NC(c2ccc3c(c2)CCCC3)c2cccs2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
The InChIKey is WKSMVEXWDCSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16-14-17(2)26(25-16)12-11-22(27)24-23(21-8-5-13-28-21)20-10-9-18-6-3-4-7-19(18)15-20/h5,8-10,13-15,23H,3-4,6-7,11-12H2,1-2H3,(H,24,27).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide has a molecular weight of 393.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55501382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).