(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide

C17H21N3O — CID 95223312

IUPAC(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(C)C1Cc2ccccc2C1)n1cccn1
InChIInChI=1S/C17H21N3O/c1-3-16(20-10-6-9-18-20)17(21)19(2)15-11-13-7-4-5-8-14(13)12-15/h4-10,15-16H,3,11-12H2,1-2H3/t16-/m1/s1
InChIKeyXNQNWNKRPJYELW-MRXNPFEDSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds4

About (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide

(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide (PubChem CID 95223312) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide
PubChem CID95223312
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(C)C1Cc2ccccc2C1)n1cccn1
InChIInChI=1S/C17H21N3O/c1-3-16(20-10-6-9-18-20)17(21)19(2)15-11-13-7-4-5-8-14(13)12-15/h4-10,15-16H,3,11-12H2,1-2H3/t16-/m1/s1
InChIKeyXNQNWNKRPJYELW-MRXNPFEDSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide (CID 95223312) is (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)N(C)C1Cc2ccccc2C1)n1cccn1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide?
The InChIKey is XNQNWNKRPJYELW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-16(20-10-6-9-18-20)17(21)19(2)15-11-13-7-4-5-8-14(13)12-15/h4-10,15-16H,3,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide?
(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide has a molecular weight of 283.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 95223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).