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

C17H20N4O — CID 166301899

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cc(C2CCCN2)[nH]n1
InChIInChI=1S/C17H20N4O/c22-17(16-10-15(20-21-16)14-6-3-7-18-14)19-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13-14,18H,3,6-9H2,(H,19,22)(H,20,21)
InChIKeyBSXDOEYWBDJGJF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.73
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 166301899) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID166301899
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cc(C2CCCN2)[nH]n1
InChIInChI=1S/C17H20N4O/c22-17(16-10-15(20-21-16)14-6-3-7-18-14)19-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13-14,18H,3,6-9H2,(H,19,22)(H,20,21)
InChIKeyBSXDOEYWBDJGJF-UHFFFAOYSA-N
XLogP1.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)pyridin-2-amine
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N-(2,3-dihydro-1H-inden-2-yl)-3-(piperidine-2-carbonylamino)pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (CID 166301899) is N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is O=C(NC1Cc2ccccc2C1)c1cc(C2CCCN2)[nH]n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BSXDOEYWBDJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(16-10-15(20-21-16)14-6-3-7-18-14)19-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13-14,18H,3,6-9H2,(H,19,22)(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166301899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).