N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide

C16H20BrN5O2 — CID 91960349

IUPACN-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H20BrN5O2/c1-4-21-13-9-18-22(16(13)11(2)19-21)8-7-15(23)20(3)10-12-5-6-14(17)24-12/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyOITSBIOEQBMVAQ-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.97
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide

N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (PubChem CID 91960349) has the molecular formula C16H20BrN5O2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
PubChem CID91960349
Molecular FormulaC16H20BrN5O2
Molecular Weight394.27 g/mol
Exact Mass393.08
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H20BrN5O2/c1-4-21-13-9-18-22(16(13)11(2)19-21)8-7-15(23)20(3)10-12-5-6-14(17)24-12/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyOITSBIOEQBMVAQ-UHFFFAOYSA-N
XLogP2.97
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960269
N-(furan-2-ylmethyl)-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960466
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91960467
1-(azepan-1-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960396
N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960397
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 91960377

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (CID 91960349) is N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is CCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The InChIKey is OITSBIOEQBMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2/c1-4-21-13-9-18-22(16(13)11(2)19-21)8-7-15(23)20(3)10-12-5-6-14(17)24-12/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide has a molecular weight of 394.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 91960349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).