3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C22H20FN5O2 — CID 135107200

IUPAC3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C22H20FN5O2/c23-17-8-6-16(7-9-17)21-19(14-28(26-21)18-4-2-1-3-5-18)22(30)27(12-13-29)15-20-24-10-11-25-20/h1-11,14,29H,12-13,15H2,(H,24,25)
InChIKeyISQUURYXMLKONK-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.04
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 135107200) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID135107200
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C22H20FN5O2/c23-17-8-6-16(7-9-17)21-19(14-28(26-21)18-4-2-1-3-5-18)22(30)27(12-13-29)15-20-24-10-11-25-20/h1-11,14,29H,12-13,15H2,(H,24,25)
InChIKeyISQUURYXMLKONK-UHFFFAOYSA-N
XLogP3.04
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 135107200) is 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ISQUURYXMLKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-17-8-6-16(7-9-17)21-19(14-28(26-21)18-4-2-1-3-5-18)22(30)27(12-13-29)15-20-24-10-11-25-20/h1-11,14,29H,12-13,15H2,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 135107200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).