[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone

C15H18N4O — CID 155547181

IUPAC[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1cc(C2CCCN(C(=O)c3ccccc3)C2)[nH]n1
InChIInChI=1S/C15H18N4O/c16-14-9-13(17-18-14)12-7-4-8-19(10-12)15(20)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H3,16,17,18)
InChIKeyLTQWKIAKRGRXQA-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds2

About [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone

[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 155547181) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
PubChem CID155547181
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1cc(C2CCCN(C(=O)c3ccccc3)C2)[nH]n1
InChIInChI=1S/C15H18N4O/c16-14-9-13(17-18-14)12-7-4-8-19(10-12)15(20)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H3,16,17,18)
InChIKeyLTQWKIAKRGRXQA-UHFFFAOYSA-N
XLogP2.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone (CID 155547181) is [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone is Nc1cc(C2CCCN(C(=O)c3ccccc3)C2)[nH]n1.
What is the InChIKey of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is LTQWKIAKRGRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14-9-13(17-18-14)12-7-4-8-19(10-12)15(20)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H3,16,17,18).
What are the key properties of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone?
[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 270.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 155547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).