(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C19H22FN5O — CID 134700978

IUPAC(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H22FN5O/c1-13-6-16(23-22-13)7-15-11-24(12-19(15)26)9-14-8-21-25(10-14)18-5-3-2-4-17(18)20/h2-6,8,10,15,19,26H,7,9,11-12H2,1H3,(H,22,23)/t15-,19-/m1/s1
InChIKeyRZUDRRHWSOWFDB-DNVCBOLYSA-N
MW355.42 g/mol
LogP2.08
Rot. Bonds5

About (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 134700978) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID134700978
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H22FN5O/c1-13-6-16(23-22-13)7-15-11-24(12-19(15)26)9-14-8-21-25(10-14)18-5-3-2-4-17(18)20/h2-6,8,10,15,19,26H,7,9,11-12H2,1H3,(H,22,23)/t15-,19-/m1/s1
InChIKeyRZUDRRHWSOWFDB-DNVCBOLYSA-N
XLogP2.08
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134711836
(3R,4R)-1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134703504
(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-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 135102736
(3R,4R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134700612
(3S,4R)-1-[[4-(2-aminoethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134699837
(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134701240
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134707753
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 134697462
3-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 134699639
3-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 135089966
(3R,4R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134705909

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 134700978) is (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2O)n[nH]1.
What is the InChIKey of (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is RZUDRRHWSOWFDB-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-6-16(23-22-13)7-15-11-24(12-19(15)26)9-14-8-21-25(10-14)18-5-3-2-4-17(18)20/h2-6,8,10,15,19,26H,7,9,11-12H2,1H3,(H,22,23)/t15-,19-/m1/s1.
What are the key properties of (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 355.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134700978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).