N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide

C19H25N3O — CID 51953782

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C19H25N3O/c1-13(12-22-15(3)9-14(2)21-22)11-20-19(23)18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyCTJADOVXYGGRFC-CYBMUJFWSA-N
MW311.43 g/mol
LogP3.05
Rot. Bonds5

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 51953782) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID51953782
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C19H25N3O/c1-13(12-22-15(3)9-14(2)21-22)11-20-19(23)18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyCTJADOVXYGGRFC-CYBMUJFWSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 55783644
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51953858
tert-butyl N-[4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]carbamate
CID 47047540
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 51953800

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 51953782) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CTJADOVXYGGRFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(12-22-15(3)9-14(2)21-22)11-20-19(23)18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 51953782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).