5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride

C15H19Cl2FN4O2 — CID 154897067

IUPAC5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CNCC[C@H]1O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2.2ClH/c16-10-3-1-2-9(6-10)14-11(7-18-20-14)15(22)19-12-8-17-5-4-13(12)21;;/h1-3,6-7,12-13,17,21H,4-5,8H2,(H,18,20)(H,19,22);2*1H/t12-,13-;;/m1../s1
InChIKeyRIPORDGNCULYAR-SNFSYSBXSA-N
MW377.25 g/mol
LogP1.51
Rot. Bonds3

About 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride

5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride (PubChem CID 154897067) has the molecular formula C15H19Cl2FN4O2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
PubChem CID154897067
Molecular FormulaC15H19Cl2FN4O2
Molecular Weight377.25 g/mol
Exact Mass376.09
IUPAC Name5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CNCC[C@H]1O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2.2ClH/c16-10-3-1-2-9(6-10)14-11(7-18-20-14)15(22)19-12-8-17-5-4-13(12)21;;/h1-3,6-7,12-13,17,21H,4-5,8H2,(H,18,20)(H,19,22);2*1H/t12-,13-;;/m1../s1
InChIKeyRIPORDGNCULYAR-SNFSYSBXSA-N
XLogP1.51
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride (CID 154897067) is 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@@H]1CNCC[C@H]1O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride?
The InChIKey is RIPORDGNCULYAR-SNFSYSBXSA-N. The full InChI is InChI=1S/C15H17FN4O2.2ClH/c16-10-3-1-2-9(6-10)14-11(7-18-20-14)15(22)19-12-8-17-5-4-13(12)21;;/h1-3,6-7,12-13,17,21H,4-5,8H2,(H,18,20)(H,19,22);2*1H/t12-,13-;;/m1../s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride?
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride has a molecular weight of 377.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154897067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).