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

C14H15ClFN3 — CID 95846034

IUPAC5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1cc(CN2CC[C@H](c3ccn[nH]3)C2)ccc1Cl
InChIInChI=1S/C14H15ClFN3/c15-12-2-1-10(7-13(12)16)8-19-6-4-11(9-19)14-3-5-17-18-14/h1-3,5,7,11H,4,6,8-9H2,(H,17,18)/t11-/m0/s1
InChIKeyGAUMFFRGEWBDAV-NSHDSACASA-N
MW279.75 g/mol
LogP3.19
Rot. Bonds3

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

5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95846034) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
PubChem CID95846034
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESFc1cc(CN2CC[C@H](c3ccn[nH]3)C2)ccc1Cl
InChIInChI=1S/C14H15ClFN3/c15-12-2-1-10(7-13(12)16)8-19-6-4-11(9-19)14-3-5-17-18-14/h1-3,5,7,11H,4,6,8-9H2,(H,17,18)/t11-/m0/s1
InChIKeyGAUMFFRGEWBDAV-NSHDSACASA-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 ≤ 500279.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperidine
CID 107887652
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 110114728
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
(5aS,9aS)-8-[(4-chloro-3-fluorophenyl)methyl]-2,3,4,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-5-one
CID 124790059
2-[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-diethylacetamide
CID 124983234

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (CID 95846034) is 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is Fc1cc(CN2CC[C@H](c3ccn[nH]3)C2)ccc1Cl.
What is the InChIKey of 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is GAUMFFRGEWBDAV-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-12-2-1-10(7-13(12)16)8-19-6-4-11(9-19)14-3-5-17-18-14/h1-3,5,7,11H,4,6,8-9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 279.75 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-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).