(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C19H23FN4O — CID 129426148

IUPAC(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H23FN4O/c20-15-6-4-14(5-7-15)18(19(25)22-16-8-9-16)24-12-1-3-17(24)13-23-11-2-10-21-23/h2,4-7,10-11,16-18H,1,3,8-9,12-13H2,(H,22,25)/t17-,18+/m0/s1
InChIKeyXNGAAZYGCNSYLQ-ZWKOTPCHSA-N
MW342.42 g/mol
LogP2.51
Rot. Bonds6

About (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 129426148) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID129426148
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H23FN4O/c20-15-6-4-14(5-7-15)18(19(25)22-16-8-9-16)24-12-1-3-17(24)13-23-11-2-10-21-23/h2,4-7,10-11,16-18H,1,3,8-9,12-13H2,(H,22,25)/t17-,18+/m0/s1
InChIKeyXNGAAZYGCNSYLQ-ZWKOTPCHSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129446573
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 129426148) is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XNGAAZYGCNSYLQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-15-6-4-14(5-7-15)18(19(25)22-16-8-9-16)24-12-1-3-17(24)13-23-11-2-10-21-23/h2,4-7,10-11,16-18H,1,3,8-9,12-13H2,(H,22,25)/t17-,18+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129426148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).