4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide

C13H20N6O — CID 19620454

IUPAC4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2c(C)nn(CC)c2C)n1
InChIInChI=1S/C13H20N6O/c1-5-18-7-10(14)12(17-18)13(20)15-11-8(3)16-19(6-2)9(11)4/h7H,5-6,14H2,1-4H3,(H,15,20)
InChIKeyNREJNBAFMSYJDB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds4

About 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide (PubChem CID 19620454) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
PubChem CID19620454
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2c(C)nn(CC)c2C)n1
InChIInChI=1S/C13H20N6O/c1-5-18-7-10(14)12(17-18)13(20)15-11-8(3)16-19(6-2)9(11)4/h7H,5-6,14H2,1-4H3,(H,15,20)
InChIKeyNREJNBAFMSYJDB-UHFFFAOYSA-N
XLogP1.57
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide (CID 19620454) is 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2c(C)nn(CC)c2C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is NREJNBAFMSYJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-18-7-10(14)12(17-18)13(20)15-11-8(3)16-19(6-2)9(11)4/h7H,5-6,14H2,1-4H3,(H,15,20).
What are the key properties of 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19620454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).