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

C10H16F2N4O2 — CID 107477905

IUPAC4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-2-16-5-7(13)9(14-16)10(18)15(3-4-17)6-8(11)12/h5,8,17H,2-4,6,13H2,1H3
InChIKeyFPJGQIIYCDYJLQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.18
Rot. Bonds6

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

4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 107477905) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID107477905
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-2-16-5-7(13)9(14-16)10(18)15(3-4-17)6-8(11)12/h5,8,17H,2-4,6,13H2,1H3
InChIKeyFPJGQIIYCDYJLQ-UHFFFAOYSA-N
XLogP0.18
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 107477905) is 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(CCO)CC(F)F)n1.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is FPJGQIIYCDYJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-2-16-5-7(13)9(14-16)10(18)15(3-4-17)6-8(11)12/h5,8,17H,2-4,6,13H2,1H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 107477905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).