N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide

C19H19N3O — CID 139413160

IUPACN-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(C#CC3CC3)ccc21
InChIInChI=1S/C19H19N3O/c1-22-18(10-11-20-22)19(23)21-17-9-7-15-12-14(6-8-16(15)17)5-4-13-2-3-13/h6,8,10-13,17H,2-3,7,9H2,1H3,(H,21,23)
InChIKeyRWERSDINUXWDFT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.60
Rot. Bonds2

About N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide

N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 139413160) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
PubChem CID139413160
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(C#CC3CC3)ccc21
InChIInChI=1S/C19H19N3O/c1-22-18(10-11-20-22)19(23)21-17-9-7-15-12-14(6-8-16(15)17)5-4-13-2-3-13/h6,8,10-13,17H,2-3,7,9H2,1H3,(H,21,23)
InChIKeyRWERSDINUXWDFT-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412839
2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412251
2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 139412578
2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412402
2-methyl-N-[(1R)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412625
2-bromo-4-methylpyrimidine;2-methyl-N-[(1R)-5-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide;2-methyl-N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 159114761
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164939962
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412462
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 79741368
4-[[(1S)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
CID 91384129
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
CID 138494566

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide (CID 139413160) is N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCc2cc(C#CC3CC3)ccc21.
What is the InChIKey of N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RWERSDINUXWDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22-18(10-11-20-22)19(23)21-17-9-7-15-12-14(6-8-16(15)17)5-4-13-2-3-13/h6,8,10-13,17H,2-3,7,9H2,1H3,(H,21,23).
What are the key properties of N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).