2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

C19H19N5O — CID 139412402

IUPAC2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3c(c2)CCC3NC(=O)c2ccnn2C)cnn1
InChIInChI=1S/C19H19N5O/c1-12-9-15(11-20-23-12)13-3-5-16-14(10-13)4-6-17(16)22-19(25)18-7-8-21-24(18)2/h3,5,7-11,17H,4,6H2,1-2H3,(H,22,25)
InChIKeyLVPMTMKPHWUXJX-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide

2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (PubChem CID 139412402) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
PubChem CID139412402
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3c(c2)CCC3NC(=O)c2ccnn2C)cnn1
InChIInChI=1S/C19H19N5O/c1-12-9-15(11-20-23-12)13-3-5-16-14(10-13)4-6-17(16)22-19(25)18-7-8-21-24(18)2/h3,5,7-11,17H,4,6H2,1-2H3,(H,22,25)
InChIKeyLVPMTMKPHWUXJX-UHFFFAOYSA-N
XLogP2.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide (CID 139412402) is 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is Cc1cc(-c2ccc3c(c2)CCC3NC(=O)c2ccnn2C)cnn1.
What is the InChIKey of 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
The InChIKey is LVPMTMKPHWUXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-9-15(11-20-23-12)13-3-5-16-14(10-13)4-6-17(16)22-19(25)18-7-8-21-24(18)2/h3,5,7-11,17H,4,6H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide?
2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(6-methylpyridazin-4-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139412402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).