N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C18H23FN4O — CID 95629403

IUPACN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C18H23FN4O/c1-12-9-14(19)6-7-17(12)23-8-4-5-15(11-23)20-18(24)16-10-13(2)22(3)21-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyJEQVSXIJHMGQIT-OAHLLOKOSA-N
MW330.41 g/mol
LogP2.57
Rot. Bonds3

About N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 95629403) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID95629403
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C18H23FN4O/c1-12-9-14(19)6-7-17(12)23-8-4-5-15(11-23)20-18(24)16-10-13(2)22(3)21-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyJEQVSXIJHMGQIT-OAHLLOKOSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 95629403) is N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)C1.
What is the InChIKey of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JEQVSXIJHMGQIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-9-14(19)6-7-17(12)23-8-4-5-15(11-23)20-18(24)16-10-13(2)22(3)21-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 95629403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).