1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H23FN4O2 — CID 46451658

IUPAC1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H23FN4O2/c1-3-11-21-18(25)12(2)22-19(26)17-13-7-6-10-15(13)24(23-17)16-9-5-4-8-14(16)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNUAFKLSHLYXTTN-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.14
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46451658) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID46451658
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H23FN4O2/c1-3-11-21-18(25)12(2)22-19(26)17-13-7-6-10-15(13)24(23-17)16-9-5-4-8-14(16)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNUAFKLSHLYXTTN-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 46451658) is 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCCNC(=O)C(C)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is NUAFKLSHLYXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-11-21-18(25)12(2)22-19(26)17-13-7-6-10-15(13)24(23-17)16-9-5-4-8-14(16)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46451658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).