[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C13H17N5O — CID 70713012

IUPAC[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1
InChIInChI=1S/C13H17N5O/c1-17-8-11(7-16-17)13(19)18-6-2-3-10(9-18)12-14-4-5-15-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyKGSNOPMUZQFAMI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.16
Rot. Bonds2

About [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 70713012) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID70713012
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1
InChIInChI=1S/C13H17N5O/c1-17-8-11(7-16-17)13(19)18-6-2-3-10(9-18)12-14-4-5-15-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyKGSNOPMUZQFAMI-UHFFFAOYSA-N
XLogP1.16
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 70713012) is [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1.
What is the InChIKey of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is KGSNOPMUZQFAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-8-11(7-16-17)13(19)18-6-2-3-10(9-18)12-14-4-5-15-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,14,15).
What are the key properties of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 70713012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).