4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide

C14H17FN4O — CID 65357729

IUPAC4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O/c1-3-19-8-12(16)13(18-19)14(20)17-9(2)10-5-4-6-11(15)7-10/h4-9H,3,16H2,1-2H3,(H,17,20)
InChIKeyBTTAGJHYCFJGGB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.12
Rot. Bonds4

About 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 65357729) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
PubChem CID65357729
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O/c1-3-19-8-12(16)13(18-19)14(20)17-9(2)10-5-4-6-11(15)7-10/h4-9H,3,16H2,1-2H3,(H,17,20)
InChIKeyBTTAGJHYCFJGGB-UHFFFAOYSA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 66197175
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
CID 65357917
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide (CID 65357729) is 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is BTTAGJHYCFJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-19-8-12(16)13(18-19)14(20)17-9(2)10-5-4-6-11(15)7-10/h4-9H,3,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65357729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).