2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide

C19H18N4O — CID 139412578

IUPAC2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(-c3ccccn3)ccc21
InChIInChI=1S/C19H18N4O/c1-23-18(9-11-21-23)19(24)22-17-8-6-13-12-14(5-7-15(13)17)16-4-2-3-10-20-16/h2-5,7,9-12,17H,6,8H2,1H3,(H,22,24)
InChIKeyMGBIIYDZRNTMTD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.90
Rot. Bonds3

About 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide

2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide (PubChem CID 139412578) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
PubChem CID139412578
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(-c3ccccn3)ccc21
InChIInChI=1S/C19H18N4O/c1-23-18(9-11-21-23)19(24)22-17-8-6-13-12-14(5-7-15(13)17)16-4-2-3-10-20-16/h2-5,7,9-12,17H,6,8H2,1H3,(H,22,24)
InChIKeyMGBIIYDZRNTMTD-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide (CID 139412578) is 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCc2cc(-c3ccccn3)ccc21.
What is the InChIKey of 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?
The InChIKey is MGBIIYDZRNTMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23-18(9-11-21-23)19(24)22-17-8-6-13-12-14(5-7-15(13)17)16-4-2-3-10-20-16/h2-5,7,9-12,17H,6,8H2,1H3,(H,22,24).
What are the key properties of 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?
2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 139412578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).