1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C20H17FN4O2 — CID 5040790

IUPAC1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O2/c1-24-10-2-5-18(24)17-12-19(20(26)22-13-16-4-3-11-27-16)25(23-17)15-8-6-14(21)7-9-15/h2-12H,13H2,1H3,(H,22,26)
InChIKeyZWWDKODCFTZVCE-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 5040790) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID5040790
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN4O2/c1-24-10-2-5-18(24)17-12-19(20(26)22-13-16-4-3-11-27-16)25(23-17)15-8-6-14(21)7-9-15/h2-12H,13H2,1H3,(H,22,26)
InChIKeyZWWDKODCFTZVCE-UHFFFAOYSA-N
XLogP3.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601302
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 16293111
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 16293653
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(2-furylmethyl)acetamide
CID 3238997
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16295742
N-(furan-2-ylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 23723324
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 2394258
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide
CID 9081256
2-(1-(4-fluorophenyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 16847094

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 5040790) is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is ZWWDKODCFTZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-24-10-2-5-18(24)17-12-19(20(26)22-13-16-4-3-11-27-16)25(23-17)15-8-6-14(21)7-9-15/h2-12H,13H2,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 5040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).