N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide

C14H15F3N4O — CID 94821910

IUPACN-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc2[nH]ncc12
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)8-21-5-4-9(7-21)19-13(22)10-2-1-3-12-11(10)6-18-20-12/h1-3,6,9H,4-5,7-8H2,(H,18,20)(H,19,22)/t9-/m0/s1
InChIKeySSKVUVVYUVKBGA-VIFPVBQESA-N
MW312.29 g/mol
LogP1.93
Rot. Bonds3

About N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide

N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide (PubChem CID 94821910) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
PubChem CID94821910
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC NameN-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc2[nH]ncc12
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)8-21-5-4-9(7-21)19-13(22)10-2-1-3-12-11(10)6-18-20-12/h1-3,6,9H,4-5,7-8H2,(H,18,20)(H,19,22)/t9-/m0/s1
InChIKeySSKVUVVYUVKBGA-VIFPVBQESA-N
XLogP1.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide (CID 94821910) is N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide is O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc2[nH]ncc12.
What is the InChIKey of N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide?
The InChIKey is SSKVUVVYUVKBGA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)8-21-5-4-9(7-21)19-13(22)10-2-1-3-12-11(10)6-18-20-12/h1-3,6,9H,4-5,7-8H2,(H,18,20)(H,19,22)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide?
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 94821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).