N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

C16H19N3O2 — CID 138054895

IUPACN-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1nccc1C(CO)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H19N3O2/c1-19-15(6-7-17-19)14(10-20)18-16(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13-14,20H,8-10H2,1H3,(H,18,21)
InChIKeyNWSRSVUZRFXVPL-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.98
Rot. Bonds4

About N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 138054895) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID138054895
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1nccc1C(CO)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H19N3O2/c1-19-15(6-7-17-19)14(10-20)18-16(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13-14,20H,8-10H2,1H3,(H,18,21)
InChIKeyNWSRSVUZRFXVPL-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704075
1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide
CID 164637106
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
N-(4-amino-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894375
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
(2S)-2-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methoxy-4-oxobutanoic acid
CID 106892384
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 138054895) is N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is Cn1nccc1C(CO)NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NWSRSVUZRFXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-15(6-7-17-19)14(10-20)18-16(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13-14,20H,8-10H2,1H3,(H,18,21).
What are the key properties of N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 138054895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).