(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine

C14H15F2N3 — CID 125171992

IUPAC(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCNC1
InChIInChI=1S/C14H15F2N3/c15-11-4-1-5-12(16)13(11)10-8-18-19-14(10)9-3-2-6-17-7-9/h1,4-5,8-9,17H,2-3,6-7H2,(H,18,19)/t9-/m1/s1
InChIKeyMKGIRSNSZSHBNA-SECBINFHSA-N
MW263.29 g/mol
LogP2.82
Rot. Bonds2

About (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine

(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 125171992) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID125171992
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCNC1
InChIInChI=1S/C14H15F2N3/c15-11-4-1-5-12(16)13(11)10-8-18-19-14(10)9-3-2-6-17-7-9/h1,4-5,8-9,17H,2-3,6-7H2,(H,18,19)/t9-/m1/s1
InChIKeyMKGIRSNSZSHBNA-SECBINFHSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
CID 45211230
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 125171992) is (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is MKGIRSNSZSHBNA-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-4-1-5-12(16)13(11)10-8-18-19-14(10)9-3-2-6-17-7-9/h1,4-5,8-9,17H,2-3,6-7H2,(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 263.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 125171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).