4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide

C11H13N5O — CID 65357225

IUPAC4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N5O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2,12H2,1H3,(H,13,15,17)
InChIKeyWGONHOVBCCIIQT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide

4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 65357225) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID65357225
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N5O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2,12H2,1H3,(H,13,15,17)
InChIKeyWGONHOVBCCIIQT-UHFFFAOYSA-N
XLogP1.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide (CID 65357225) is 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1ccncc1.
What is the InChIKey of 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is WGONHOVBCCIIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2,12H2,1H3,(H,13,15,17).
What are the key properties of 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 65357225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).