N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

C18H18FN5O3 — CID 167973545

IUPACN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)NCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O3/c19-13-3-5-15(6-4-13)24-8-7-14(23-24)10-20-17(25)12-22-18(26)21-11-16-2-1-9-27-16/h1-9H,10-12H2,(H,20,25)(H2,21,22,26)
InChIKeyHFHHOKLENTVSFX-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.72
Rot. Bonds7

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

N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 167973545) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID167973545
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)NCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O3/c19-13-3-5-15(6-4-13)24-8-7-14(23-24)10-20-17(25)12-22-18(26)21-11-16-2-1-9-27-16/h1-9H,10-12H2,(H,20,25)(H2,21,22,26)
InChIKeyHFHHOKLENTVSFX-UHFFFAOYSA-N
XLogP1.72
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 71991457
1-(furan-2-ylmethyl)-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 75493916
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 51292308
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
CID 97330409
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 31638385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 167973545) is N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCc1ccco1)NCc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is HFHHOKLENTVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-13-3-5-15(6-4-13)24-8-7-14(23-24)10-20-17(25)12-22-18(26)21-11-16-2-1-9-27-16/h1-9H,10-12H2,(H,20,25)(H2,21,22,26).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 371.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 167973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).