1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide

C18H21N5O2 — CID 74250337

IUPAC1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)[nH]n1
InChIInChI=1S/C18H21N5O2/c1-22(12-16-8-17(13-25-2)21-20-16)18(24)15-9-19-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,20,21)
InChIKeyWYRRRLWTNZMJBC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.07
Rot. Bonds7

About 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide

1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 74250337) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide
PubChem CID74250337
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)[nH]n1
InChIInChI=1S/C18H21N5O2/c1-22(12-16-8-17(13-25-2)21-20-16)18(24)15-9-19-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,20,21)
InChIKeyWYRRRLWTNZMJBC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168291136
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-carboxamide
CID 168294540
US11180484, Example 34
CID 139301830
1-(4-methoxybenzyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 25283721
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 50976064
[3-(methoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-pyridin-4-ylmethanone
CID 97520290
cyclopropyl-[3-(pyridin-3-ylmethoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97520309
{5-[(1-benzyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 91760114
1-(2-fluorobenzyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 56901280
{5-[(1-benzyl-1H-pyrazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91779607
6-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyridine-3-carboxamide
CID 117897340
ethyl 5-[(4-phenyltriazol-1-yl)methyl]-1H-pyrazole-3-carboxylate
CID 71551969

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide (CID 74250337) is 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide is COCc1cc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)[nH]n1.
What is the InChIKey of 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is WYRRRLWTNZMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22(12-16-8-17(13-25-2)21-20-16)18(24)15-9-19-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide?
1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 74250337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).