N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide

C14H15N3O — CID 844580

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C14H15N3O/c1-17-9-12(8-15-17)14(18)16-13-6-5-10-3-2-4-11(10)7-13/h5-9H,2-4H2,1H3,(H,16,18)
InChIKeyYNDAWRFPSROKBH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.16
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 844580) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide
PubChem CID844580
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C14H15N3O/c1-17-9-12(8-15-17)14(18)16-13-6-5-10-3-2-4-11(10)7-13/h5-9H,2-4H2,1H3,(H,16,18)
InChIKeyYNDAWRFPSROKBH-UHFFFAOYSA-N
XLogP2.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide (CID 844580) is N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is YNDAWRFPSROKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-9-12(8-15-17)14(18)16-13-6-5-10-3-2-4-11(10)7-13/h5-9H,2-4H2,1H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 844580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).