(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium

C24H25N4O2+ — CID 8914987

IUPAC(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccco1)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-27(18-23(29)25-15-22-13-8-14-30-22)16-20-17-28(21-11-6-3-7-12-21)26-24(20)19-9-4-2-5-10-19/h2-14,17H,15-16,18H2,1H3,(H,25,29)/p+1
InChIKeyIJAFOSZREMSCNG-UHFFFAOYSA-O
MW401.49 g/mol
LogP2.46
Rot. Bonds8

About (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium

(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8914987) has the molecular formula C24H25N4O2+ and a molecular weight of 401.49 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
PubChem CID8914987
Molecular FormulaC24H25N4O2+
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccco1)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-27(18-23(29)25-15-22-13-8-14-30-22)16-20-17-28(21-11-6-3-7-12-21)26-24(20)19-9-4-2-5-10-19/h2-14,17H,15-16,18H2,1H3,(H,25,29)/p+1
InChIKeyIJAFOSZREMSCNG-UHFFFAOYSA-O
XLogP2.46
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9437025
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 17446948
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050268
3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 17425443
(1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124571
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026754
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-[(1,3-diphenylpyrazol-4-yl)methyl-methylazaniumyl]propane-1-sulfonate
CID 8915178
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32932137
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium (CID 8914987) is (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCc1ccco1)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is IJAFOSZREMSCNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N4O2/c1-27(18-23(29)25-15-22-13-8-14-30-22)16-20-17-28(21-11-6-3-7-12-21)26-24(20)19-9-4-2-5-10-19/h2-14,17H,15-16,18H2,1H3,(H,25,29)/p+1.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium?
(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 401.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).