2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

C18H17N5O — CID 139412839

IUPAC2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CCc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C18H17N5O/c1-23-16(7-10-21-23)18(24)22-15-6-4-12-11-13(3-5-14(12)15)17-19-8-2-9-20-17/h2-3,5,7-11,15H,4,6H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyCRAXPOKVAXOYSV-OAHLLOKOSA-N
MW319.37 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (PubChem CID 139412839) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
PubChem CID139412839
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CCc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C18H17N5O/c1-23-16(7-10-21-23)18(24)22-15-6-4-12-11-13(3-5-14(12)15)17-19-8-2-9-20-17/h2-3,5,7-11,15H,4,6H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyCRAXPOKVAXOYSV-OAHLLOKOSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 139412578
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-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412402
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
N-[5-(2-cyclopropylethynyl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
CID 139413160
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-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412730
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330915
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
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-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 139413072
1-(2-hydroxyethyl)-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (CID 139412839) is 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@@H]1CCc2cc(-c3ncccn3)ccc21.
What is the InChIKey of 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The InChIKey is CRAXPOKVAXOYSV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-16(7-10-21-23)18(24)22-15-6-4-12-11-13(3-5-14(12)15)17-19-8-2-9-20-17/h2-3,5,7-11,15H,4,6H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139412839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).