1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide

C15H17FN4O — CID 64545703

IUPAC1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O/c16-12-5-3-11(4-6-12)15(7-8-15)14(21)17-9-1-2-13-18-10-19-20-13/h3-6,10H,1-2,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyPAUQHVNJBBKTTC-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.72
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 64545703) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
PubChem CID64545703
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN4O/c16-12-5-3-11(4-6-12)15(7-8-15)14(21)17-9-1-2-13-18-10-19-20-13/h3-6,10H,1-2,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyPAUQHVNJBBKTTC-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopentane-1-carboxamide
CID 79001381
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
3-ethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 64531930
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
CID 119394382
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide (CID 64545703) is 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide is O=C(NCCCc1ncn[nH]1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is PAUQHVNJBBKTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-5-3-11(4-6-12)15(7-8-15)14(21)17-9-1-2-13-18-10-19-20-13/h3-6,10H,1-2,7-9H2,(H,17,21)(H,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 64545703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).