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

C14H15N3O — CID 90967948

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-9-6-13(17-16-9)14(18)15-12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKZJOFHJYDPBHKR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.62
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 90967948) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID90967948
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C14H15N3O/c1-9-6-13(17-16-9)14(18)15-12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKZJOFHJYDPBHKR-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 90967948) is N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2Cc3ccccc3C2)n[nH]1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KZJOFHJYDPBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-6-13(17-16-9)14(18)15-12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90967948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).