N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

C21H21FN4O2 — CID 71112733

IUPACN-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-5-3-2-4-6-14)21(27)24-17-8-7-15(11-16(17)22)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyFHDFCUHMFXRKKA-FQEVSTJZSA-N
MW380.42 g/mol
LogP3.14
Rot. Bonds4

About N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 71112733) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID71112733
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-5-3-2-4-6-14)21(27)24-17-8-7-15(11-16(17)22)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyFHDFCUHMFXRKKA-FQEVSTJZSA-N
XLogP3.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-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-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 71112733) is N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is FHDFCUHMFXRKKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-5-3-2-4-6-14)21(27)24-17-8-7-15(11-16(17)22)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 71112733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).