1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine

C15H23N5 — CID 70784858

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine
SMILESCn1ccnc1CN1CCC(CCn2cccn2)CC1
InChIInChI=1S/C15H23N5/c1-18-12-7-16-15(18)13-19-9-3-14(4-10-19)5-11-20-8-2-6-17-20/h2,6-8,12,14H,3-5,9-11,13H2,1H3
InChIKeyHMYMPQNZXNSSHK-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.92
Rot. Bonds5

About 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine

1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine (PubChem CID 70784858) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine
PubChem CID70784858
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine
SMILESCn1ccnc1CN1CCC(CCn2cccn2)CC1
InChIInChI=1S/C15H23N5/c1-18-12-7-16-15(18)13-19-9-3-14(4-10-19)5-11-20-8-2-6-17-20/h2,6-8,12,14H,3-5,9-11,13H2,1H3
InChIKeyHMYMPQNZXNSSHK-UHFFFAOYSA-N
XLogP1.92
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine (CID 70784858) is 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine is Cn1ccnc1CN1CCC(CCn2cccn2)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
The InChIKey is HMYMPQNZXNSSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-18-12-7-16-15(18)13-19-9-3-14(4-10-19)5-11-20-8-2-6-17-20/h2,6-8,12,14H,3-5,9-11,13H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine?
1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperidine is sourced from PubChem (CID 70784858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).