4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

C14H17FN4O — CID 66123418

IUPAC4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)c2cccc(F)c2)c1N
InChIInChI=1S/C14H17FN4O/c1-8(10-5-4-6-11(15)7-10)17-14(20)13-12(16)9(2)18-19(13)3/h4-8H,16H2,1-3H3,(H,17,20)
InChIKeyWCMRJWWFJHHASZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66123418) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66123418
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)c2cccc(F)c2)c1N
InChIInChI=1S/C14H17FN4O/c1-8(10-5-4-6-11(15)7-10)17-14(20)13-12(16)9(2)18-19(13)3/h4-8H,16H2,1-3H3,(H,17,20)
InChIKeyWCMRJWWFJHHASZ-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147
4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123760
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357729
4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66120266
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66123418) is 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)c2cccc(F)c2)c1N.
What is the InChIKey of 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WCMRJWWFJHHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8(10-5-4-6-11(15)7-10)17-14(20)13-12(16)9(2)18-19(13)3/h4-8H,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).