[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H27N5O — CID 70783062

IUPAC[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1nccn1CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C18H27N5O/c1-14(2)23-13-17(12-20-23)18(24)22-9-5-16(6-10-22)4-8-21-11-7-19-15(21)3/h7,11-14,16H,4-6,8-10H2,1-3H3
InChIKeyQLPZSYFMXRXSSS-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.91
Rot. Bonds5

About [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70783062) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70783062
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1nccn1CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C18H27N5O/c1-14(2)23-13-17(12-20-23)18(24)22-9-5-16(6-10-22)4-8-21-11-7-19-15(21)3/h7,11-14,16H,4-6,8-10H2,1-3H3
InChIKeyQLPZSYFMXRXSSS-UHFFFAOYSA-N
XLogP2.91
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70783062) is [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is Cc1nccn1CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1.
What is the InChIKey of [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is QLPZSYFMXRXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14(2)23-13-17(12-20-23)18(24)22-9-5-16(6-10-22)4-8-21-11-7-19-15(21)3/h7,11-14,16H,4-6,8-10H2,1-3H3.
What are the key properties of [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70783062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).