N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide

C16H21FN6O — CID 118770949

IUPACN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NCC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN6O/c1-12-19-20-21-23(12)9-7-16(24)18-10-13-6-8-22(11-13)15-4-2-14(17)3-5-15/h2-5,13H,6-11H2,1H3,(H,18,24)
InChIKeyGIROSQQQQSUTQG-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.15
Rot. Bonds6

About N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 118770949) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID118770949
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NCC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN6O/c1-12-19-20-21-23(12)9-7-16(24)18-10-13-6-8-22(11-13)15-4-2-14(17)3-5-15/h2-5,13H,6-11H2,1H3,(H,18,24)
InChIKeyGIROSQQQQSUTQG-UHFFFAOYSA-N
XLogP1.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120595897
1-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862649
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
(2R,6S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95161107
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879952

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 118770949) is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)NCC1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is GIROSQQQQSUTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-12-19-20-21-23(12)9-7-16(24)18-10-13-6-8-22(11-13)15-4-2-14(17)3-5-15/h2-5,13H,6-11H2,1H3,(H,18,24).
What are the key properties of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 332.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 118770949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).