N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide

C22H20FN5O — CID 25287126

IUPACN-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
SMILESCc1c([C@@H](C)NC(=O)c2cccc(-c3ncc[nH]3)c2)cnn1-c1cccc(F)c1
InChIInChI=1S/C22H20FN5O/c1-14(20-13-26-28(15(20)2)19-8-4-7-18(23)12-19)27-22(29)17-6-3-5-16(11-17)21-24-9-10-25-21/h3-14H,1-2H3,(H,24,25)(H,27,29)/t14-/m1/s1
InChIKeyXFHRAXCFMZRUDH-CQSZACIVSA-N
MW389.43 g/mol
LogP4.20
Rot. Bonds5

About N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide

N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide (PubChem CID 25287126) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
PubChem CID25287126
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
SMILESCc1c([C@@H](C)NC(=O)c2cccc(-c3ncc[nH]3)c2)cnn1-c1cccc(F)c1
InChIInChI=1S/C22H20FN5O/c1-14(20-13-26-28(15(20)2)19-8-4-7-18(23)12-19)27-22(29)17-6-3-5-16(11-17)21-24-9-10-25-21/h3-14H,1-2H3,(H,24,25)(H,27,29)/t14-/m1/s1
InChIKeyXFHRAXCFMZRUDH-CQSZACIVSA-N
XLogP4.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide (CID 25287126) is N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide is Cc1c([C@@H](C)NC(=O)c2cccc(-c3ncc[nH]3)c2)cnn1-c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide?
The InChIKey is XFHRAXCFMZRUDH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14(20-13-26-28(15(20)2)19-8-4-7-18(23)12-19)27-22(29)17-6-3-5-16(11-17)21-24-9-10-25-21/h3-14H,1-2H3,(H,24,25)(H,27,29)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide?
N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 25287126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).