N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C17H22FN3O — CID 134037511

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC2NNCC2C1)C1CC1c1ccccc1F
InChIInChI=1S/C17H22FN3O/c18-15-4-2-1-3-12(15)13-8-14(13)17(22)20-11-5-6-16-10(7-11)9-19-21-16/h1-4,10-11,13-14,16,19,21H,5-9H2,(H,20,22)
InChIKeyAZRPVPMIUNVPJW-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.69
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134037511) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134037511
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC2NNCC2C1)C1CC1c1ccccc1F
InChIInChI=1S/C17H22FN3O/c18-15-4-2-1-3-12(15)13-8-14(13)17(22)20-11-5-6-16-10(7-11)9-19-21-16/h1-4,10-11,13-14,16,19,21H,5-9H2,(H,20,22)
InChIKeyAZRPVPMIUNVPJW-UHFFFAOYSA-N
XLogP1.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134037511) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC1CCC2NNCC2C1)C1CC1c1ccccc1F.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is AZRPVPMIUNVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-15-4-2-1-3-12(15)13-8-14(13)17(22)20-11-5-6-16-10(7-11)9-19-21-16/h1-4,10-11,13-14,16,19,21H,5-9H2,(H,20,22).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134037511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).