2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide

C12H18N4O2 — CID 150996483

IUPAC2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide
SMILESCNC(=O)N1CC=CC1Cc1cc(COC)[nH]n1
InChIInChI=1S/C12H18N4O2/c1-13-12(17)16-5-3-4-11(16)7-9-6-10(8-18-2)15-14-9/h3-4,6,11H,5,7-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLTEYUPVTITZLHX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds4

About 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide

2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 150996483) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID150996483
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide
SMILESCNC(=O)N1CC=CC1Cc1cc(COC)[nH]n1
InChIInChI=1S/C12H18N4O2/c1-13-12(17)16-5-3-4-11(16)7-9-6-10(8-18-2)15-14-9/h3-4,6,11H,5,7-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLTEYUPVTITZLHX-UHFFFAOYSA-N
XLogP0.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 156589610
(1S)-7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126445002
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate
CID 118770914
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72840531
tert-butyl (2S)-2-[(4-methoxyphenyl)methyl]-2,5-dihydropyrrole-1-carboxylate
CID 53310929
(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
CID 95226564
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56710811

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide (CID 150996483) is 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide is CNC(=O)N1CC=CC1Cc1cc(COC)[nH]n1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is LTEYUPVTITZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-12(17)16-5-3-4-11(16)7-9-6-10(8-18-2)15-14-9/h3-4,6,11H,5,7-8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide?
2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 150996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).