1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide

C16H23N5O — CID 50960575

IUPAC1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)Cc1cnccn1
InChIInChI=1S/C16H23N5O/c1-5-21-15(9-14(20-21)11(2)3)16(22)19-12(4)8-13-10-17-6-7-18-13/h6-7,9-12H,5,8H2,1-4H3,(H,19,22)
InChIKeyGBIFTERYYABFPA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds6

About 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide

1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide (PubChem CID 50960575) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide
PubChem CID50960575
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)Cc1cnccn1
InChIInChI=1S/C16H23N5O/c1-5-21-15(9-14(20-21)11(2)3)16(22)19-12(4)8-13-10-17-6-7-18-13/h6-7,9-12H,5,8H2,1-4H3,(H,19,22)
InChIKeyGBIFTERYYABFPA-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide (CID 50960575) is 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NC(C)Cc1cnccn1.
What is the InChIKey of 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is GBIFTERYYABFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-5-21-15(9-14(20-21)11(2)3)16(22)19-12(4)8-13-10-17-6-7-18-13/h6-7,9-12H,5,8H2,1-4H3,(H,19,22).
What are the key properties of 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide?
1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 50960575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).