[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C15H21N5O2 — CID 110270990

IUPAC[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)n1
InChIInChI=1S/C15H21N5O2/c1-19-8-5-12(18-19)15(22)20-7-3-2-4-14(20)13-10-11(6-9-21)16-17-13/h5,8,10,14,21H,2-4,6-7,9H2,1H3,(H,16,17)
InChIKeyKWCQGIKYNJQISD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.05
Rot. Bonds4

About [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110270990) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110270990
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)n1
InChIInChI=1S/C15H21N5O2/c1-19-8-5-12(18-19)15(22)20-7-3-2-4-14(20)13-10-11(6-9-21)16-17-13/h5,8,10,14,21H,2-4,6-7,9H2,1H3,(H,16,17)
InChIKeyKWCQGIKYNJQISD-UHFFFAOYSA-N
XLogP1.05
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110270990) is [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)n1.
What is the InChIKey of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is KWCQGIKYNJQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-8-5-12(18-19)15(22)20-7-3-2-4-14(20)13-10-11(6-9-21)16-17-13/h5,8,10,14,21H,2-4,6-7,9H2,1H3,(H,16,17).
What are the key properties of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110270990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).