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

C18H20FN5O2 — CID 56749917

IUPACN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H20FN5O2/c1-3-24-9-8-20-17(24)11-23(2)18(25)15-10-13(21-22-15)12-26-16-7-5-4-6-14(16)19/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyXGJSHVVLDCTINC-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.62
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56749917) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID56749917
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H20FN5O2/c1-3-24-9-8-20-17(24)11-23(2)18(25)15-10-13(21-22-15)12-26-16-7-5-4-6-14(16)19/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyXGJSHVVLDCTINC-UHFFFAOYSA-N
XLogP2.62
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 68690761
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56740946
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-[(5-methyl-2-furyl)methyl]-1H-pyrazole-3-carboxamide
CID 42290712
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]-1H-pyrazole-3-carboxamide
CID 42291011
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46948244
N-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 53501539
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56738654
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56739273
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56740623
N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56742250

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 56749917) is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XGJSHVVLDCTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-3-24-9-8-20-17(24)11-23(2)18(25)15-10-13(21-22-15)12-26-16-7-5-4-6-14(16)19/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56749917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).