4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

C17H21N3O — CID 94821272

IUPAC4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c21-17(10-4-12-20-13-5-11-18-20)19-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,11,13,16H,3-4,7,9-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyFRYUNFYTSCDGIE-MRXNPFEDSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds5

About 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 94821272) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID94821272
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c21-17(10-4-12-20-13-5-11-18-20)19-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,11,13,16H,3-4,7,9-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyFRYUNFYTSCDGIE-MRXNPFEDSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
2-(1-benzylimidazol-2-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9267998
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 94163114

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 94821272) is 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is O=C(CCCn1cccn1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is FRYUNFYTSCDGIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(10-4-12-20-13-5-11-18-20)19-16-9-3-7-14-6-1-2-8-15(14)16/h1-2,5-6,8,11,13,16H,3-4,7,9-10,12H2,(H,19,21)/t16-/m1/s1.
What are the key properties of 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 283.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 94821272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).