N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H21N3O — CID 95616896

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)C[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c1-11-17(12(2)20-19-11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyZJQNZALETLFEQZ-AWEZNQCLSA-N
MW283.38 g/mol
LogP3.48
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95616896) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95616896
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)C[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H21N3O/c1-11-17(12(2)20-19-11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyZJQNZALETLFEQZ-AWEZNQCLSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
3-methylsulfonyl-5-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzoic acid
CID 119257803
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120567006
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 105082761
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
CID 95617018
2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95329588
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95616896) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)C[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ZJQNZALETLFEQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-17(12(2)20-19-11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95616896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).