4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide

C8H14N4O2 — CID 65359089

IUPAC4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCO)n1
InChIInChI=1S/C8H14N4O2/c1-2-12-5-6(9)7(11-12)8(14)10-3-4-13/h5,13H,2-4,9H2,1H3,(H,10,14)
InChIKeyVGQISECRGLJZRD-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.79
Rot. Bonds4

About 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 65359089) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID65359089
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCCO)n1
InChIInChI=1S/C8H14N4O2/c1-2-12-5-6(9)7(11-12)8(14)10-3-4-13/h5,13H,2-4,9H2,1H3,(H,10,14)
InChIKeyVGQISECRGLJZRD-UHFFFAOYSA-N
XLogP-0.79
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 65359089) is 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCCO)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is VGQISECRGLJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-12-5-6(9)7(11-12)8(14)10-3-4-13/h5,13H,2-4,9H2,1H3,(H,10,14).
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65359089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).