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

C18H19F2N5 — CID 146129740

IUPAC1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine
SMILESFc1cccc(F)c1-n1ccc(CN2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C18H19F2N5/c19-16-2-1-3-17(20)18(16)25-9-6-15(23-25)12-24-7-4-13(5-8-24)14-10-21-22-11-14/h1-3,6,9-11,13H,4-5,7-8,12H2,(H,21,22)
InChIKeyLHNBXKPRFJCKRF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.25
Rot. Bonds4

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

1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine (PubChem CID 146129740) has the molecular formula C18H19F2N5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine
PubChem CID146129740
Molecular FormulaC18H19F2N5
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine
SMILESFc1cccc(F)c1-n1ccc(CN2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C18H19F2N5/c19-16-2-1-3-17(20)18(16)25-9-6-15(23-25)12-24-7-4-13(5-8-24)14-10-21-22-11-14/h1-3,6,9-11,13H,4-5,7-8,12H2,(H,21,22)
InChIKeyLHNBXKPRFJCKRF-UHFFFAOYSA-N
XLogP3.25
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
CID 86773477
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 95137870
2-methyl-7-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86773456
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-[[1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]piperidin-3-amine
CID 167916388
1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 136535898
1-(piperidin-4-ylmethyl)-4-(1H-pyrazol-4-yl)piperidine
CID 120847965
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773367
N-cyclopropyl-N-ethyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773464
2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 97245766
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773430

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine (CID 146129740) is 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine is Fc1cccc(F)c1-n1ccc(CN2CCC(c3cn[nH]c3)CC2)n1.
What is the InChIKey of 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine?
The InChIKey is LHNBXKPRFJCKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5/c19-16-2-1-3-17(20)18(16)25-9-6-15(23-25)12-24-7-4-13(5-8-24)14-10-21-22-11-14/h1-3,6,9-11,13H,4-5,7-8,12H2,(H,21,22).
What are the key properties of 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine?
1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine has a molecular weight of 343.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 146129740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).