2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide

C16H24N6O — CID 50966342

IUPAC2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide
SMILESCc1nn(C)c(C)c1CN(CC(=O)Nc1cnccn1)C(C)C
InChIInChI=1S/C16H24N6O/c1-11(2)22(9-14-12(3)20-21(5)13(14)4)10-16(23)19-15-8-17-6-7-18-15/h6-8,11H,9-10H2,1-5H3,(H,18,19,23)
InChIKeyJKFKSTPIERSGNH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.68
Rot. Bonds6

About 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide

2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide (PubChem CID 50966342) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide
PubChem CID50966342
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide
SMILESCc1nn(C)c(C)c1CN(CC(=O)Nc1cnccn1)C(C)C
InChIInChI=1S/C16H24N6O/c1-11(2)22(9-14-12(3)20-21(5)13(14)4)10-16(23)19-15-8-17-6-7-18-15/h6-8,11H,9-10H2,1-5H3,(H,18,19,23)
InChIKeyJKFKSTPIERSGNH-UHFFFAOYSA-N
XLogP1.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954786
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56814512
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 71932928
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71995901
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propylpropanamide
CID 72024817
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N,N-diethylpropanamide
CID 72024819
2-(Dimethylamino)-1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 72024827
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2-methylpropanamide
CID 72024834
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propan-2-ylpropanamide
CID 72148103
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
CID 56915257
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}acetamide
CID 91911066

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide (CID 50966342) is 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide is Cc1nn(C)c(C)c1CN(CC(=O)Nc1cnccn1)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The InChIKey is JKFKSTPIERSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11(2)22(9-14-12(3)20-21(5)13(14)4)10-16(23)19-15-8-17-6-7-18-15/h6-8,11H,9-10H2,1-5H3,(H,18,19,23).
What are the key properties of 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide has a molecular weight of 316.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 50966342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).