1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide

C12H12FN5O2 — CID 64780467

IUPAC1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C12H12FN5O2/c13-8-1-2-9(14)10(3-8)17-11(19)6-18-5-7(4-16-18)12(15)20/h1-5H,6,14H2,(H2,15,20)(H,17,19)
InChIKeyRDVKTRMEWPXFSB-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.34
Rot. Bonds4

About 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide

1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 64780467) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID64780467
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C12H12FN5O2/c13-8-1-2-9(14)10(3-8)17-11(19)6-18-5-7(4-16-18)12(15)20/h1-5H,6,14H2,(H2,15,20)(H,17,19)
InChIKeyRDVKTRMEWPXFSB-UHFFFAOYSA-N
XLogP0.34
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780082
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 130605298
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[2-[2-(difluoromethoxy)-4-fluoroanilino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502761
N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82695813
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide (CID 64780467) is 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CC(=O)Nc2cc(F)ccc2N)c1.
What is the InChIKey of 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is RDVKTRMEWPXFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-8-1-2-9(14)10(3-8)17-11(19)6-18-5-7(4-16-18)12(15)20/h1-5H,6,14H2,(H2,15,20)(H,17,19).
What are the key properties of 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide?
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64780467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).