N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide

C16H19FN4O — CID 122559279

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H19FN4O/c1-11-14(20-21-19-11)15(22)18-10-16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyXWUXSUBGRVLUEH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.49
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 122559279) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID122559279
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H19FN4O/c1-11-14(20-21-19-11)15(22)18-10-16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyXWUXSUBGRVLUEH-UHFFFAOYSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86827891
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide (CID 122559279) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is XWUXSUBGRVLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-14(20-21-19-11)15(22)18-10-16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 122559279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).