N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C12H22N4O2 — CID 51183315

IUPACN-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H22N4O2/c1-15(8-11-7-14-16(2)9-11)10-12(17)13-5-4-6-18-3/h7,9H,4-6,8,10H2,1-3H3,(H,13,17)
InChIKeyGVWYVEHLUYAJCH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.00
Rot. Bonds8

About N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 51183315) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID51183315
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H22N4O2/c1-15(8-11-7-14-16(2)9-11)10-12(17)13-5-4-6-18-3/h7,9H,4-6,8,10H2,1-3H3,(H,13,17)
InChIKeyGVWYVEHLUYAJCH-UHFFFAOYSA-N
XLogP0.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]butanoate
CID 34153497
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34152876
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 34153757
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 134001625
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354607

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 51183315) is N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is COCCCNC(=O)CN(C)Cc1cnn(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is GVWYVEHLUYAJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-15(8-11-7-14-16(2)9-11)10-12(17)13-5-4-6-18-3/h7,9H,4-6,8,10H2,1-3H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 51183315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).