naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate

C22H19N3O4 — CID 42645812

IUPACnaphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)OCc3cccc4ccccc34)cn2)o1
InChIInChI=1S/C22H19N3O4/c1-15(26)21-10-9-19(29-21)13-25-12-18(11-23-25)24-22(27)28-14-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyZWMJNCAHRREJEQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.63
Rot. Bonds6

About naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate

naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate (PubChem CID 42645812) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
PubChem CID42645812
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namenaphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)OCc3cccc4ccccc34)cn2)o1
InChIInChI=1S/C22H19N3O4/c1-15(26)21-10-9-19(29-21)13-25-12-18(11-23-25)24-22(27)28-14-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyZWMJNCAHRREJEQ-UHFFFAOYSA-N
XLogP4.63
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397909
(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate
CID 66928938
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397917
1-[5-(naphthalen-1-ylmethyl)furan-2-yl]ethanone
CID 66788789
methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 74225855
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 66928869
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42646541
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 66928566
(2-chlorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929105

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate?
The IUPAC name of naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate (CID 42645812) is naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate?
The canonical SMILES for naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate is CC(=O)c1ccc(Cn2cc(NC(=O)OCc3cccc4ccccc34)cn2)o1.
What is the InChIKey of naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate?
The InChIKey is ZWMJNCAHRREJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-15(26)21-10-9-19(29-21)13-25-12-18(11-23-25)24-22(27)28-14-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,24,27).
What are the key properties of naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate?
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate has a molecular weight of 389.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 42645812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).