2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine

C14H15ClFN3 — CID 137388705

IUPAC2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
SMILESF[C@H]1CCC(Cn2cc(-c3cccnc3Cl)cn2)C1
InChIInChI=1S/C14H15ClFN3/c15-14-13(2-1-5-17-14)11-7-18-19(9-11)8-10-3-4-12(16)6-10/h1-2,5,7,9-10,12H,3-4,6,8H2/t10?,12-/m0/s1
InChIKeyOLLRSQXGAPNMBP-KFJBMODSSA-N
MW279.75 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine

2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine (PubChem CID 137388705) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
PubChem CID137388705
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
SMILESF[C@H]1CCC(Cn2cc(-c3cccnc3Cl)cn2)C1
InChIInChI=1S/C14H15ClFN3/c15-14-13(2-1-5-17-14)11-7-18-19(9-11)8-10-3-4-12(16)6-10/h1-2,5,7,9-10,12H,3-4,6,8H2/t10?,12-/m0/s1
InChIKeyOLLRSQXGAPNMBP-KFJBMODSSA-N
XLogP3.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
CID 84794344
2-chloro-5-[1-(cyclopropylmethyl)pyrazol-4-yl]-4-fluoroaniline
CID 171921734
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole
CID 79787419
3-[1-[[4-(cyclopropylmethoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine
CID 59255115
4-(2-iodophenyl)-1-(oxan-4-ylmethyl)pyrazole
CID 79787929
3-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-methylsulfonylaniline
CID 166176429
N-tert-butyl-2-[1-(cyclopropylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 72904281
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
CID 137373638
6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
CID 129301785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine (CID 137388705) is 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine is F[C@H]1CCC(Cn2cc(-c3cccnc3Cl)cn2)C1.
What is the InChIKey of 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine?
The InChIKey is OLLRSQXGAPNMBP-KFJBMODSSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-14-13(2-1-5-17-14)11-7-18-19(9-11)8-10-3-4-12(16)6-10/h1-2,5,7,9-10,12H,3-4,6,8H2/t10?,12-/m0/s1.
What are the key properties of 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine?
2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine has a molecular weight of 279.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 137388705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).