2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide

C20H18FN5O2 — CID 46997841

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccc(F)cc3)cn2)o1
InChIInChI=1S/C20H18FN5O2/c1-14-2-7-18(28-14)12-26-19(8-9-22-26)24-20(27)13-25-11-16(10-23-25)15-3-5-17(21)6-4-15/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyQQRPTGGGRNAAFB-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide (PubChem CID 46997841) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
PubChem CID46997841
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccc(F)cc3)cn2)o1
InChIInChI=1S/C20H18FN5O2/c1-14-2-7-18(28-14)12-26-19(8-9-22-26)24-20(27)13-25-11-16(10-23-25)15-3-5-17(21)6-4-15/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyQQRPTGGGRNAAFB-UHFFFAOYSA-N
XLogP3.47
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500634
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
2-methyl-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793147
5-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1319133
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
5-[(3-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1068291
N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24819211
N-[(Furan-2-YL)methyl]-2-[2-(1-methyl-1H-indol-3-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]acetamide
CID 46349659
2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8002151
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide (CID 46997841) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide is Cc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccc(F)cc3)cn2)o1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is QQRPTGGGRNAAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-14-2-7-18(28-14)12-26-19(8-9-22-26)24-20(27)13-25-11-16(10-23-25)15-3-5-17(21)6-4-15/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 379.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 46997841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).