5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole

C15H18FN3 — CID 95824213

IUPAC5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-11-9-17-18-15(11)14-6-3-7-19(14)10-12-4-2-5-13(16)8-12/h2,4-5,8-9,14H,3,6-7,10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyLBMOIIPWPHQQST-AWEZNQCLSA-N
MW259.33 g/mol
LogP3.19
Rot. Bonds3

About 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole

5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (PubChem CID 95824213) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
PubChem CID95824213
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H18FN3/c1-11-9-17-18-15(11)14-6-3-7-19(14)10-12-4-2-5-13(16)8-12/h2,4-5,8-9,14H,3,6-7,10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyLBMOIIPWPHQQST-AWEZNQCLSA-N
XLogP3.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95826977
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
1-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952888
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (CID 95824213) is 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is Cc1cn[nH]c1[C@@H]1CCCN1Cc1cccc(F)c1.
What is the InChIKey of 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The InChIKey is LBMOIIPWPHQQST-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-9-17-18-15(11)14-6-3-7-19(14)10-12-4-2-5-13(16)8-12/h2,4-5,8-9,14H,3,6-7,10H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole has a molecular weight of 259.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 95824213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).