N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

C16H28N6O — CID 91960397

IUPACN-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCCN(CC)CCNC(=O)CCn1ncc2c1c(C)nn2CC
InChIInChI=1S/C16H28N6O/c1-5-20(6-2)11-9-17-15(23)8-10-22-16-13(4)19-21(7-3)14(16)12-18-22/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyDMKGRVIIIGEYGX-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.41
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (PubChem CID 91960397) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
PubChem CID91960397
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCCN(CC)CCNC(=O)CCn1ncc2c1c(C)nn2CC
InChIInChI=1S/C16H28N6O/c1-5-20(6-2)11-9-17-15(23)8-10-22-16-13(4)19-21(7-3)14(16)12-18-22/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyDMKGRVIIIGEYGX-UHFFFAOYSA-N
XLogP1.41
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 19554051
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 91960377
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91960276
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 91960218
1-(azepan-1-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960396
N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
1-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483150
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960418
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960165
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 91960298

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (CID 91960397) is N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is CCN(CC)CCNC(=O)CCn1ncc2c1c(C)nn2CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The InChIKey is DMKGRVIIIGEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-5-20(6-2)11-9-17-15(23)8-10-22-16-13(4)19-21(7-3)14(16)12-18-22/h12H,5-11H2,1-4H3,(H,17,23).
What are the key properties of N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is sourced from PubChem (CID 91960397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).