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

C15H17F2N3 — CID 95826979

IUPAC5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3/c1-10-8-18-19-15(10)14-3-2-6-20(14)9-11-4-5-12(16)13(17)7-11/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyWFHCQFCEZVGSIO-AWEZNQCLSA-N
MW277.32 g/mol
LogP3.33
Rot. Bonds3

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

5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (PubChem CID 95826979) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
PubChem CID95826979
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3/c1-10-8-18-19-15(10)14-3-2-6-20(14)9-11-4-5-12(16)13(17)7-11/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyWFHCQFCEZVGSIO-AWEZNQCLSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95824213
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-[5-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766152
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
3-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732080
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134
1-[(3,4-difluorophenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952899
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
5-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95826977

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (CID 95826979) is 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is Cc1cn[nH]c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The InChIKey is WFHCQFCEZVGSIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10-8-18-19-15(10)14-3-2-6-20(14)9-11-4-5-12(16)13(17)7-11/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole has a molecular weight of 277.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 95826979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).