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

C14H24ClF3N6O — CID 154899127

IUPAC2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C.Cl
InChIInChI=1S/C14H23F3N6O.ClH/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);1H/t11-,12+;/m1./s1
InChIKeyWVRFCRORWDAYAQ-LYCTWNKOSA-N
MW384.83 g/mol
LogP1.43
Rot. Bonds6

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

2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 154899127) has the molecular formula C14H24ClF3N6O and a molecular weight of 384.83 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;hydrochloride.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID154899127
Molecular FormulaC14H24ClF3N6O
Molecular Weight384.83 g/mol
Exact Mass384.17
IUPAC Name2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C.Cl
InChIInChI=1S/C14H23F3N6O.ClH/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);1H/t11-,12+;/m1./s1
InChIKeyWVRFCRORWDAYAQ-LYCTWNKOSA-N
XLogP1.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 51.43
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;hydrochloride?
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;hydrochloride (CID 154899127) is 2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cc1nnnn1CC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C.Cl.
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;hydrochloride?
The InChIKey is WVRFCRORWDAYAQ-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H23F3N6O.ClH/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);1H/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;hydrochloride?
2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 384.83 g/mol, XLogP of 1.43, 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;hydrochloride is sourced from PubChem (CID 154899127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).