4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide

C14H17FN4O — CID 132586605

IUPAC4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1nn(CCF)cc1N)c1ccccc1
InChIInChI=1S/C14H17FN4O/c1-2-19(11-6-4-3-5-7-11)14(20)13-12(16)10-18(17-13)9-8-15/h3-7,10H,2,8-9,16H2,1H3
InChIKeyLVFUQQFYOHMEDB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.10
Rot. Bonds5

About 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide

4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 132586605) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
PubChem CID132586605
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1nn(CCF)cc1N)c1ccccc1
InChIInChI=1S/C14H17FN4O/c1-2-19(11-6-4-3-5-7-11)14(20)13-12(16)10-18(17-13)9-8-15/h3-7,10H,2,8-9,16H2,1H3
InChIKeyLVFUQQFYOHMEDB-UHFFFAOYSA-N
XLogP2.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
CID 132586573
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 65363090
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 110691733
[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 132586598
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide (CID 132586605) is 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide is CCN(C(=O)c1nn(CCF)cc1N)c1ccccc1.
What is the InChIKey of 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is LVFUQQFYOHMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-19(11-6-4-3-5-7-11)14(20)13-12(16)10-18(17-13)9-8-15/h3-7,10H,2,8-9,16H2,1H3.
What are the key properties of 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide?
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 132586605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).