N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C13H16F3N3O — CID 164639366

IUPACN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11(7-5-6-7)17-12(20)10-8-3-1-2-4-9(8)18-19-10/h7,11H,1-6H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyLDKNWWDCJCDODJ-NSHDSACASA-N
MW287.29 g/mol
LogP2.36
Rot. Bonds3

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 164639366) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID164639366
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11(7-5-6-7)17-12(20)10-8-3-1-2-4-9(8)18-19-10/h7,11H,1-6H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyLDKNWWDCJCDODJ-NSHDSACASA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 164639366) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N[C@@H](C1CC1)C(F)(F)F)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LDKNWWDCJCDODJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11(7-5-6-7)17-12(20)10-8-3-1-2-4-9(8)18-19-10/h7,11H,1-6H2,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 164639366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).