2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide

C14H23F3N6O — CID 72933712

IUPAC2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C
InChIInChI=1S/C14H23F3N6O/c1-9(2)11-6-22(5-4-14(15,16)17)7-12(11)18-13(24)8-23-10(3)19-20-21-23/h9,11-12H,4-8H2,1-3H3,(H,18,24)/t11-,12+/m1/s1
InChIKeyMQXQKBMWONXMEB-NEPJUHHUSA-N
MW348.37 g/mol
LogP1.01
Rot. Bonds6

About 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide

2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide (PubChem CID 72933712) has the molecular formula C14H23F3N6O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
PubChem CID72933712
Molecular FormulaC14H23F3N6O
Molecular Weight348.37 g/mol
Exact Mass348.19
IUPAC Name2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C
InChIInChI=1S/C14H23F3N6O/c1-9(2)11-6-22(5-4-14(15,16)17)7-12(11)18-13(24)8-23-10(3)19-20-21-23/h9,11-12H,4-8H2,1-3H3,(H,18,24)/t11-,12+/m1/s1
InChIKeyMQXQKBMWONXMEB-NEPJUHHUSA-N
XLogP1.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide (CID 72933712) is 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide is Cc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is MQXQKBMWONXMEB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23F3N6O/c1-9(2)11-6-22(5-4-14(15,16)17)7-12(11)18-13(24)8-23-10(3)19-20-21-23/h9,11-12H,4-8H2,1-3H3,(H,18,24)/t11-,12+/m1/s1.
What are the key properties of 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72933712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).