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

C18H21N5O2 — CID 56747078

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C18H21N5O2/c1-3-23-10-9-19-17(23)12-22(2)18(24)16-11-14(20-21-16)13-25-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyHBHWPEDWOGQOOS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.48
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56747078) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56747078
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C18H21N5O2/c1-3-23-10-9-19-17(23)12-22(2)18(24)16-11-14(20-21-16)13-25-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyHBHWPEDWOGQOOS-UHFFFAOYSA-N
XLogP2.48
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56747078) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HBHWPEDWOGQOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-23-10-9-19-17(23)12-22(2)18(24)16-11-14(20-21-16)13-25-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.48, 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]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56747078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).