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

C14H14FN3O — CID 47380214

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(F)ccc32)n[nH]1
InChIInChI=1S/C14H14FN3O/c1-8-6-13(18-17-8)14(19)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyKYBSDZISCGVBAP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.27
Rot. Bonds2

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

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47380214) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47380214
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(F)ccc32)n[nH]1
InChIInChI=1S/C14H14FN3O/c1-8-6-13(18-17-8)14(19)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyKYBSDZISCGVBAP-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 47380214) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCc3cc(F)ccc32)n[nH]1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KYBSDZISCGVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-6-13(18-17-8)14(19)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47380214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).