(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine

C18H21N5 — CID 97158561

IUPAC(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
SMILESc1ccc(-c2cc(CN3CCC[C@H](c4cn[nH]c4)C3)[nH]n2)cc1
InChIInChI=1S/C18H21N5/c1-2-5-14(6-3-1)18-9-17(21-22-18)13-23-8-4-7-15(12-23)16-10-19-20-11-16/h1-3,5-6,9-11,15H,4,7-8,12-13H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFQFGZRMFEXSPLO-HNNXBMFYSA-N
MW307.40 g/mol
LogP3.18
Rot. Bonds4

About (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine

(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine (PubChem CID 97158561) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
PubChem CID97158561
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
SMILESc1ccc(-c2cc(CN3CCC[C@H](c4cn[nH]c4)C3)[nH]n2)cc1
InChIInChI=1S/C18H21N5/c1-2-5-14(6-3-1)18-9-17(21-22-18)13-23-8-4-7-15(12-23)16-10-19-20-11-16/h1-3,5-6,9-11,15H,4,7-8,12-13H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFQFGZRMFEXSPLO-HNNXBMFYSA-N
XLogP3.18
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine (CID 97158561) is (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine is c1ccc(-c2cc(CN3CCC[C@H](c4cn[nH]c4)C3)[nH]n2)cc1.
What is the InChIKey of (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
The InChIKey is FQFGZRMFEXSPLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-5-14(6-3-1)18-9-17(21-22-18)13-23-8-4-7-15(12-23)16-10-19-20-11-16/h1-3,5-6,9-11,15H,4,7-8,12-13H2,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine?
(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine has a molecular weight of 307.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 97158561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).