5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

C20H18FN5O2 — CID 56753574

IUPAC5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCn1c(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)nc2ccccc21
InChIInChI=1S/C20H18FN5O2/c1-26-18-8-3-2-7-16(18)23-19(26)11-22-20(27)17-10-14(24-25-17)12-28-15-6-4-5-13(21)9-15/h2-10H,11-12H2,1H3,(H,22,27)(H,24,25)
InChIKeyHOCURIPKRPSUNI-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.94
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56753574) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56753574
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCn1c(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)nc2ccccc21
InChIInChI=1S/C20H18FN5O2/c1-26-18-8-3-2-7-16(18)23-19(26)11-22-20(27)17-10-14(24-25-17)12-28-15-6-4-5-13(21)9-15/h2-10H,11-12H2,1H3,(H,22,27)(H,24,25)
InChIKeyHOCURIPKRPSUNI-UHFFFAOYSA-N
XLogP2.94
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
4-[(3-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56752617

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56753574) is 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cn1c(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)nc2ccccc21.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HOCURIPKRPSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-26-18-8-3-2-7-16(18)23-19(26)11-22-20(27)17-10-14(24-25-17)12-28-15-6-4-5-13(21)9-15/h2-10H,11-12H2,1H3,(H,22,27)(H,24,25).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56753574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).