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

C17H18FN5O2 — CID 42196381

IUPACN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-2-23-8-7-19-16(23)10-20-17(24)14-9-12(21-22-14)11-25-15-6-4-3-5-13(15)18/h3-9H,2,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyGTPGLAQGPZBRLV-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.27
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42196381) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42196381
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-2-23-8-7-19-16(23)10-20-17(24)14-9-12(21-22-14)11-25-15-6-4-3-5-13(15)18/h3-9H,2,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyGTPGLAQGPZBRLV-UHFFFAOYSA-N
XLogP2.27
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (CID 42196381) is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is CCn1ccnc1CNC(=O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GTPGLAQGPZBRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-2-23-8-7-19-16(23)10-20-17(24)14-9-12(21-22-14)11-25-15-6-4-3-5-13(15)18/h3-9H,2,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 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]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42196381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).