1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

C16H27F2N5 — CID 164640209

IUPAC1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESCCC(F)(F)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyQXBJNJYLXBYBJX-ZDUSSCGKSA-N
MW327.42 g/mol
LogP2.04
Rot. Bonds5

About 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (PubChem CID 164640209) has the molecular formula C16H27F2N5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
PubChem CID164640209
Molecular FormulaC16H27F2N5
Molecular Weight327.42 g/mol
Exact Mass327.22
IUPAC Name1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESCCC(F)(F)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyQXBJNJYLXBYBJX-ZDUSSCGKSA-N
XLogP2.04
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine with MolForge

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 171351810
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
tert-butyl 4-[3-(piperidin-3-yl)-1H-pyrazol-5-yl]piperazine-1-carboxylate
CID 126817959
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
(NZ)-N-[[[5-(4-fluorocyclohexa-2,4-dien-1-yl)-1H-pyrazol-3-yl]amino]-(methylideneamino)methylidene]-4-methyl-N'-[[(4-methylcyclohexa-1,5-dien-1-yl)amino]methyl]piperazine-1-carboximidamide
CID 144106343
N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 177317899
(5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136858567
1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
CID 138030075
2-(4,4-difluorocyclohexyl)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138057157
1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
CID 154741570
(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
CID 71098448

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (CID 164640209) is 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is CCC(F)(F)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The InChIKey is QXBJNJYLXBYBJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine has a molecular weight of 327.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 164640209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).