1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine

C19H31N5 — CID 70770431

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C19H31N5/c1-19(2,3)17-13-15(21-22-17)14-24-11-6-5-7-16(24)8-9-18-20-10-12-23(18)4/h10,12-13,16H,5-9,11,14H2,1-4H3,(H,21,22)
InChIKeyCCBZCCJFZOZWQR-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.43
Rot. Bonds5

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine (PubChem CID 70770431) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
PubChem CID70770431
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C19H31N5/c1-19(2,3)17-13-15(21-22-17)14-24-11-6-5-7-16(24)8-9-18-20-10-12-23(18)4/h10,12-13,16H,5-9,11,14H2,1-4H3,(H,21,22)
InChIKeyCCBZCCJFZOZWQR-UHFFFAOYSA-N
XLogP3.43
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
CID 70756651
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 70732316
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
2-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154887228
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 114528223
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 106781510
[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
CID 45224137
2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine
CID 29214676

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine (CID 70770431) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine is Cn1ccnc1CCC1CCCCN1Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The InChIKey is CCBZCCJFZOZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-19(2,3)17-13-15(21-22-17)14-24-11-6-5-7-16(24)8-9-18-20-10-12-23(18)4/h10,12-13,16H,5-9,11,14H2,1-4H3,(H,21,22).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine has a molecular weight of 329.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 70770431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).