1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

C16H18FN3O — CID 37392369

IUPAC1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21)
InChIKeyDDFJBLWJUKZMBL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 37392369) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID37392369
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21)
InChIKeyDDFJBLWJUKZMBL-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 56818149
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
1-(4-fluorophenyl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122308655
1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 64545703
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
3-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493513
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (CID 37392369) is 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCn1cccn1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is DDFJBLWJUKZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 37392369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).