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

C20H19ClN4O — CID 164636807

IUPAC2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cn1)Nc1ccnn1[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H19ClN4O/c21-15-8-9-16(22-13-15)12-20(26)24-19-10-11-23-25(19)18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,13,18H,3,5,7,12H2,(H,24,26)/t18-/m0/s1
InChIKeyHJFLFRJTFMIHNM-SFHVURJKSA-N
MW366.85 g/mol
LogP4.04
Rot. Bonds4

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

2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide (PubChem CID 164636807) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide
PubChem CID164636807
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cn1)Nc1ccnn1[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H19ClN4O/c21-15-8-9-16(22-13-15)12-20(26)24-19-10-11-23-25(19)18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,13,18H,3,5,7,12H2,(H,24,26)/t18-/m0/s1
InChIKeyHJFLFRJTFMIHNM-SFHVURJKSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 95240052
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CID 120612737
2-pyrrolidin-2-yl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 119865826
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CID 154834618
5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
CID 167921599
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
3-(methoxymethyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
CID 164635258
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955324
N-(5-chloro-2-pyridinyl)-2-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 943818

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide (CID 164636807) is 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide is O=C(Cc1ccc(Cl)cn1)Nc1ccnn1[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide?
The InChIKey is HJFLFRJTFMIHNM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-15-8-9-16(22-13-15)12-20(26)24-19-10-11-23-25(19)18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,13,18H,3,5,7,12H2,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide?
2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 164636807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).