(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide

C11H17FN4O — CID 120963288

IUPAC(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCn1nccc1CCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C11H17FN4O/c1-15-9(2-4-14-15)3-5-16-7-8(12)6-10(16)11(13)17/h2,4,8,10H,3,5-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeyABWWTAWQKYFMFR-SCZZXKLOSA-N
MW240.28 g/mol
LogP-0.14
Rot. Bonds4

About (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 120963288) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID120963288
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCn1nccc1CCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C11H17FN4O/c1-15-9(2-4-14-15)3-5-16-7-8(12)6-10(16)11(13)17/h2,4,8,10H,3,5-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeyABWWTAWQKYFMFR-SCZZXKLOSA-N
XLogP-0.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965743
1-(2-chloroethyl)-4-fluoropyrrolidine-2-carboxamide
CID 90955627
(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 131955290
1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 122360340
(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
CID 120928941
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128974612
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
1-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 121416136
(2S,4R)-1-[(5-bromo-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 138013376
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 120963288) is (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide is Cn1nccc1CCN1C[C@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ABWWTAWQKYFMFR-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-15-9(2-4-14-15)3-5-16-7-8(12)6-10(16)11(13)17/h2,4,8,10H,3,5-7H2,1H3,(H2,13,17)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 240.28 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120963288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).