N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide

C15H17N3O2 — CID 95626542

IUPACN-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C15H17N3O2/c1-10-7-16-18(8-10)9-15(20)17-13-6-5-12-11(13)3-2-4-14(12)19/h2-4,7-8,13,19H,5-6,9H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeySQJUWOOEEHEZRW-CYBMUJFWSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds3

About N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 95626542) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID95626542
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C15H17N3O2/c1-10-7-16-18(8-10)9-15(20)17-13-6-5-12-11(13)3-2-4-14(12)19/h2-4,7-8,13,19H,5-6,9H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeySQJUWOOEEHEZRW-CYBMUJFWSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 95622362
N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 126776325
1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 133403593
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 102554514
N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
CID 95630466
2-[4-(2-hydroxyethyl)pyrazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75505902
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418
(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606343

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 95626542) is N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N[C@@H]2CCc3c(O)cccc32)c1.
What is the InChIKey of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is SQJUWOOEEHEZRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-16-18(8-10)9-15(20)17-13-6-5-12-11(13)3-2-4-14(12)19/h2-4,7-8,13,19H,5-6,9H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 95626542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).