2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide

C12H23N5O — CID 103106733

IUPAC2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCc1nn(C)c(NC(C)C(=O)N(C)CC)c1N
InChIInChI=1S/C12H23N5O/c1-6-9-10(13)11(17(5)15-9)14-8(3)12(18)16(4)7-2/h8,14H,6-7,13H2,1-5H3
InChIKeyPVVTYODXKATDSA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.84
Rot. Bonds5

About 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103106733) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103106733
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCc1nn(C)c(NC(C)C(=O)N(C)CC)c1N
InChIInChI=1S/C12H23N5O/c1-6-9-10(13)11(17(5)15-9)14-8(3)12(18)16(4)7-2/h8,14H,6-7,13H2,1-5H3
InChIKeyPVVTYODXKATDSA-UHFFFAOYSA-N
XLogP0.84
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide (CID 103106733) is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide is CCc1nn(C)c(NC(C)C(=O)N(C)CC)c1N.
What is the InChIKey of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is PVVTYODXKATDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-9-10(13)11(17(5)15-9)14-8(3)12(18)16(4)7-2/h8,14H,6-7,13H2,1-5H3.
What are the key properties of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).