4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide

C14H16F2N4O — CID 65358766

IUPAC4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4O/c1-2-20-13(12(17)8-19-20)14(21)18-4-3-9-5-10(15)7-11(16)6-9/h5-8H,2-4,17H2,1H3,(H,18,21)
InChIKeyGPGMRMCSVWXWPX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 65358766) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
PubChem CID65358766
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4O/c1-2-20-13(12(17)8-19-20)14(21)18-4-3-9-5-10(15)7-11(16)6-9/h5-8H,2-4,17H2,1H3,(H,18,21)
InChIKeyGPGMRMCSVWXWPX-UHFFFAOYSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 65359190
4-amino-1-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413375
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 65358559
4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide
CID 132586712
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
CID 65359199
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide (CID 65358766) is 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is GPGMRMCSVWXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-2-20-13(12(17)8-19-20)14(21)18-4-3-9-5-10(15)7-11(16)6-9/h5-8H,2-4,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65358766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).