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

C17H19N3O3 — CID 124744031

IUPACN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
SMILESCn1cc(C(=O)CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cn1
InChIInChI=1S/C17H19N3O3/c1-20-10-12(9-18-20)15(21)6-7-16(22)19-14-8-11-4-2-3-5-13(11)17(14)23/h2-5,9-10,14,17,23H,6-8H2,1H3,(H,19,22)/t14-,17-/m1/s1
InChIKeyZJKRAZJTLYDCFC-RHSMWYFYSA-N
MW313.36 g/mol
LogP1.16
Rot. Bonds5

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

N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide (PubChem CID 124744031) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
PubChem CID124744031
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
SMILESCn1cc(C(=O)CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cn1
InChIInChI=1S/C17H19N3O3/c1-20-10-12(9-18-20)15(21)6-7-16(22)19-14-8-11-4-2-3-5-13(11)17(14)23/h2-5,9-10,14,17,23H,6-8H2,1H3,(H,19,22)/t14-,17-/m1/s1
InChIKeyZJKRAZJTLYDCFC-RHSMWYFYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 164637304
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103860697
1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
CID 97066451
3-(1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696380
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573312
1-(1-methylpyrazol-4-yl)-3-methylsulfanylpropan-1-one
CID 105082349
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide (CID 124744031) is N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide is Cn1cc(C(=O)CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cn1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide?
The InChIKey is ZJKRAZJTLYDCFC-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-10-12(9-18-20)15(21)6-7-16(22)19-14-8-11-4-2-3-5-13(11)17(14)23/h2-5,9-10,14,17,23H,6-8H2,1H3,(H,19,22)/t14-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide?
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide has a molecular weight of 313.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide is sourced from PubChem (CID 124744031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).