N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide

C16H23N5O — CID 118794340

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C
InChIInChI=1S/C16H23N5O/c1-4-15-12(2)20-21(13(15)3)10-9-19-16(22)6-5-14-11-17-7-8-18-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyXESWGKHJNYJWFV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide (PubChem CID 118794340) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide
PubChem CID118794340
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C
InChIInChI=1S/C16H23N5O/c1-4-15-12(2)20-21(13(15)3)10-9-19-16(22)6-5-14-11-17-7-8-18-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyXESWGKHJNYJWFV-UHFFFAOYSA-N
XLogP1.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
CID 118788357
N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118768255
N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen
CID 170981994
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 99954223
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119102745
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122558708
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 71689005
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide
CID 139979626
1-pyrazin-2-ylhexan-3-one
CID 64504751
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide
CID 91779007
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 55088669

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide (CID 118794340) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide is CCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is XESWGKHJNYJWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-15-12(2)20-21(13(15)3)10-9-19-16(22)6-5-14-11-17-7-8-18-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 118794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).