4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine

C19H23N5 — CID 51104356

IUPAC4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N5/c1-22-19(7-11-20-22)16-8-12-23(13-9-16)15-17-10-14-24(21-17)18-5-3-2-4-6-18/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
InChIKeyUDWFACBZWQGIEL-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.99
Rot. Bonds4

About 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine

4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine (PubChem CID 51104356) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine
PubChem CID51104356
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N5/c1-22-19(7-11-20-22)16-8-12-23(13-9-16)15-17-10-14-24(21-17)18-5-3-2-4-6-18/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
InChIKeyUDWFACBZWQGIEL-UHFFFAOYSA-N
XLogP2.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine (CID 51104356) is 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine is Cn1nccc1C1CCN(Cc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine?
The InChIKey is UDWFACBZWQGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-22-19(7-11-20-22)16-8-12-23(13-9-16)15-17-10-14-24(21-17)18-5-3-2-4-6-18/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine?
4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine has a molecular weight of 321.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-[(1-phenylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 51104356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).