N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C20H24FN5O2 — CID 99807466

IUPACN-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)cn1
InChIInChI=1S/C20H24FN5O2/c1-24-13-14(12-22-24)19(27)23-15-6-9-25(10-7-15)18-8-11-26(20(18)28)17-5-3-2-4-16(17)21/h2-5,12-13,15,18H,6-11H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyRIOXPSCRGYALPJ-SFHVURJKSA-N
MW385.44 g/mol
LogP1.56
Rot. Bonds4

About N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 99807466) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID99807466
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC NameN-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)cn1
InChIInChI=1S/C20H24FN5O2/c1-24-13-14(12-22-24)19(27)23-15-6-9-25(10-7-15)18-8-11-26(20(18)28)17-5-3-2-4-16(17)21/h2-5,12-13,15,18H,6-11H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyRIOXPSCRGYALPJ-SFHVURJKSA-N
XLogP1.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]pyrazole-4-carboxamide
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CID 18146068
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
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N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
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CID 51091043
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
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1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
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N-[1-(2-acetamido-3-phenylprop-2-enoyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 76862313
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 99807466) is N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)cn1.
What is the InChIKey of N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RIOXPSCRGYALPJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-24-13-14(12-22-24)19(27)23-15-6-9-25(10-7-15)18-8-11-26(20(18)28)17-5-3-2-4-16(17)21/h2-5,12-13,15,18H,6-11H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99807466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).