N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide

C12H20N4O2 — CID 100729024

IUPACN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCn1cc(CNC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H20N4O2/c1-18-7-6-16-10-11(9-14-16)8-13-12(17)15-4-2-3-5-15/h9-10H,2-8H2,1H3,(H,13,17)
InChIKeyOHQHAAPVGBGBKD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide

N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 100729024) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID100729024
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCn1cc(CNC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H20N4O2/c1-18-7-6-16-10-11(9-14-16)8-13-12(17)15-4-2-3-5-15/h9-10H,2-8H2,1H3,(H,13,17)
InChIKeyOHQHAAPVGBGBKD-UHFFFAOYSA-N
XLogP0.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-3-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
CID 72010190
1-Methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45860366
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 50952291
(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368712
1-(2,2-Difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 100725546
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-N'-[(1-propyl-1H-pyrazol-4-yl)methyl]urea
CID 122559542
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methyl-N'-[(1-propyl-1H-pyrazol-4-yl)methyl]urea
CID 122560302
2-[(2-methoxyethyl)(methyl)amino]-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 122567075
(3S)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124294587
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 45831990
1-[(1-Methylpyrazol-4-yl)methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86831465
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94031350

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide (CID 100729024) is N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide is COCCn1cc(CNC(=O)N2CCCC2)cn1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is OHQHAAPVGBGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-7-6-16-10-11(9-14-16)8-13-12(17)15-4-2-3-5-15/h9-10H,2-8H2,1H3,(H,13,17).
What are the key properties of N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide?
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100729024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).