[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

C19H27N5O — CID 72867903

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C19H27N5O/c1-14-17(13-22(2)21-14)19(25)24-9-4-7-16(12-24)18-20-8-10-23(18)11-15-5-3-6-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3
InChIKeyZLXATKPCHRJUBP-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.74
Rot. Bonds4

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 72867903) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID72867903
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C19H27N5O/c1-14-17(13-22(2)21-14)19(25)24-9-4-7-16(12-24)18-20-8-10-23(18)11-15-5-3-6-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3
InChIKeyZLXATKPCHRJUBP-UHFFFAOYSA-N
XLogP2.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (CID 72867903) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is ZLXATKPCHRJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-17(13-22(2)21-14)19(25)24-9-4-7-16(12-24)18-20-8-10-23(18)11-15-5-3-6-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3.
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 72867903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).