(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H13F3N4O — CID 55178793

IUPAC(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(5-6)9(18)8-7(14)4-15-16-8/h4,6H,1-3,5,14H2,(H,15,16)
InChIKeyMKNQAJOQEFEFRR-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.41
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 55178793) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID55178793
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(5-6)9(18)8-7(14)4-15-16-8/h4,6H,1-3,5,14H2,(H,15,16)
InChIKeyMKNQAJOQEFEFRR-UHFFFAOYSA-N
XLogP1.41
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 55178793) is (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Nc1cn[nH]c1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is MKNQAJOQEFEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-2-1-3-17(5-6)9(18)8-7(14)4-15-16-8/h4,6H,1-3,5,14H2,(H,15,16).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 262.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55178793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).