2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide

C16H20N6O — CID 56730014

IUPAC2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCCn1nc(C)c2nn(CC(=O)NC(C)c3ccncc3)cc21
InChIInChI=1S/C16H20N6O/c1-4-22-14-9-21(20-16(14)12(3)19-22)10-15(23)18-11(2)13-5-7-17-8-6-13/h5-9,11H,4,10H2,1-3H3,(H,18,23)
InChIKeyDLMFARCCNOLFDK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.83
Rot. Bonds5

About 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 56730014) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID56730014
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCCn1nc(C)c2nn(CC(=O)NC(C)c3ccncc3)cc21
InChIInChI=1S/C16H20N6O/c1-4-22-14-9-21(20-16(14)12(3)19-22)10-15(23)18-11(2)13-5-7-17-8-6-13/h5-9,11H,4,10H2,1-3H3,(H,18,23)
InChIKeyDLMFARCCNOLFDK-UHFFFAOYSA-N
XLogP1.83
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 56730012
2-ethyl-5-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 71983834
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 56730014) is 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide is CCn1nc(C)c2nn(CC(=O)NC(C)c3ccncc3)cc21.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is DLMFARCCNOLFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-22-14-9-21(20-16(14)12(3)19-22)10-15(23)18-11(2)13-5-7-17-8-6-13/h5-9,11H,4,10H2,1-3H3,(H,18,23).
What are the key properties of 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 56730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).