N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide

C18H18FN3O2 — CID 42879207

IUPACN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccco2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-2-9-22-16(11-15(21-22)17-8-5-10-24-17)18(23)20-12-13-6-3-4-7-14(13)19/h3-8,10-11H,2,9,12H2,1H3,(H,20,23)
InChIKeyXTENSRLGPFBEIU-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.62
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide

N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide (PubChem CID 42879207) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
PubChem CID42879207
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccco2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-2-9-22-16(11-15(21-22)17-8-5-10-24-17)18(23)20-12-13-6-3-4-7-14(13)19/h3-8,10-11H,2,9,12H2,1H3,(H,20,23)
InChIKeyXTENSRLGPFBEIU-UHFFFAOYSA-N
XLogP3.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886591
(6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063198
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide (CID 42879207) is N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide is CCCn1nc(-c2ccco2)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide?
The InChIKey is XTENSRLGPFBEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-9-22-16(11-15(21-22)17-8-5-10-24-17)18(23)20-12-13-6-3-4-7-14(13)19/h3-8,10-11H,2,9,12H2,1H3,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 42879207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).