2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide

C12H17N5O2 — CID 119074008

IUPAC2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide
SMILESCOCc1cc(CNC(=O)C(C)n2ccnc2)[nH]n1
InChIInChI=1S/C12H17N5O2/c1-9(17-4-3-13-8-17)12(18)14-6-10-5-11(7-19-2)16-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyVEUHHWVLRRNIJJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.63
Rot. Bonds6

About 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide

2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide (PubChem CID 119074008) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide
PubChem CID119074008
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide
SMILESCOCc1cc(CNC(=O)C(C)n2ccnc2)[nH]n1
InChIInChI=1S/C12H17N5O2/c1-9(17-4-3-13-8-17)12(18)14-6-10-5-11(7-19-2)16-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyVEUHHWVLRRNIJJ-UHFFFAOYSA-N
XLogP0.63
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide (CID 119074008) is 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide is COCc1cc(CNC(=O)C(C)n2ccnc2)[nH]n1.
What is the InChIKey of 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide?
The InChIKey is VEUHHWVLRRNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9(17-4-3-13-8-17)12(18)14-6-10-5-11(7-19-2)16-15-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide?
2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 119074008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).