4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide

C14H16F2N4O — CID 65353870

IUPAC4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H16F2N4O/c1-8(9-4-5-10(15)11(16)6-9)20(3)14(21)13-12(17)7-19(2)18-13/h4-8H,17H2,1-3H3
InChIKeyZNXXCASXTBUHCR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.11
Rot. Bonds3

About 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide

4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 65353870) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID65353870
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H16F2N4O/c1-8(9-4-5-10(15)11(16)6-9)20(3)14(21)13-12(17)7-19(2)18-13/h4-8H,17H2,1-3H3
InChIKeyZNXXCASXTBUHCR-UHFFFAOYSA-N
XLogP2.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide (CID 65353870) is 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is ZNXXCASXTBUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8(9-4-5-10(15)11(16)6-9)20(3)14(21)13-12(17)7-19(2)18-13/h4-8H,17H2,1-3H3.
What are the key properties of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65353870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).