1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C13H20N4O — CID 54886049

IUPAC1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H20N4O/c18-13(11-7-15-16-8-11)17-6-2-3-10(9-17)12-4-1-5-14-12/h7-8,10,12,14H,1-6,9H2,(H,15,16)
InChIKeyWMTYDINHGLAELQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds2

About 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 54886049) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID54886049
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H20N4O/c18-13(11-7-15-16-8-11)17-6-2-3-10(9-17)12-4-1-5-14-12/h7-8,10,12,14H,1-6,9H2,(H,15,16)
InChIKeyWMTYDINHGLAELQ-UHFFFAOYSA-N
XLogP1.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 54886049) is 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cn[nH]c1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is WMTYDINHGLAELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(11-7-15-16-8-11)17-6-2-3-10(9-17)12-4-1-5-14-12/h7-8,10,12,14H,1-6,9H2,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 54886049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).