1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

C21H27N5 — CID 70734905

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1cc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1
InChIInChI=1S/C21H27N5/c1-3-26-15-17(12-23-26)14-25-10-8-18(9-11-25)21-20(13-22-24-21)19-7-5-4-6-16(19)2/h4-7,12-13,15,18H,3,8-11,14H2,1-2H3,(H,22,24)
InChIKeyQVIHFUPYPYADJK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.98
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 70734905) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID70734905
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCCn1cc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1
InChIInChI=1S/C21H27N5/c1-3-26-15-17(12-23-26)14-25-10-8-18(9-11-25)21-20(13-22-24-21)19-7-5-4-6-16(19)2/h4-7,12-13,15,18H,3,8-11,14H2,1-2H3,(H,22,24)
InChIKeyQVIHFUPYPYADJK-UHFFFAOYSA-N
XLogP3.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 70734905) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is CCn1cc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is QVIHFUPYPYADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-3-26-15-17(12-23-26)14-25-10-8-18(9-11-25)21-20(13-22-24-21)19-7-5-4-6-16(19)2/h4-7,12-13,15,18H,3,8-11,14H2,1-2H3,(H,22,24).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 70734905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).