(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C14H17FN4O — CID 135118104

IUPAC(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3ccncc3F)C[C@@H]2O)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9-4-11(18-17-9)5-10-7-19(8-14(10)20)13-2-3-16-6-12(13)15/h2-4,6,10,14,20H,5,7-8H2,1H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyKJQJWTCWUMJXSB-YGRLFVJLSA-N
MW276.31 g/mol
LogP1.29
Rot. Bonds3

About (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 135118104) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID135118104
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3ccncc3F)C[C@@H]2O)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9-4-11(18-17-9)5-10-7-19(8-14(10)20)13-2-3-16-6-12(13)15/h2-4,6,10,14,20H,5,7-8H2,1H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyKJQJWTCWUMJXSB-YGRLFVJLSA-N
XLogP1.29
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 135104291
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 135101939
(3S,4R)-1-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135097101
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
CID 155493377
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134707753
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(pyridin-3-ylamino)ethanone
CID 155492000
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 155507113
(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134700978
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
CID 155494186
methyl 2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 155500099
(3R,4R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134700612
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 135105465

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 135118104) is (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(c3ccncc3F)C[C@@H]2O)n[nH]1.
What is the InChIKey of (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is KJQJWTCWUMJXSB-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-4-11(18-17-9)5-10-7-19(8-14(10)20)13-2-3-16-6-12(13)15/h2-4,6,10,14,20H,5,7-8H2,1H3,(H,17,18)/t10-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 276.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135118104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).