5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide

C10H18N4O3 — CID 104600874

IUPAC5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCC(CNC(=O)c1cnn(C)c1N)OC
InChIInChI=1S/C10H18N4O3/c1-14-9(11)8(5-13-14)10(15)12-4-7(17-3)6-16-2/h5,7H,4,6,11H2,1-3H3,(H,12,15)
InChIKeyBEVQLYUDMKZQOI-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.61
Rot. Bonds6

About 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 104600874) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
PubChem CID104600874
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCC(CNC(=O)c1cnn(C)c1N)OC
InChIInChI=1S/C10H18N4O3/c1-14-9(11)8(5-13-14)10(15)12-4-7(17-3)6-16-2/h5,7H,4,6,11H2,1-3H3,(H,12,15)
InChIKeyBEVQLYUDMKZQOI-UHFFFAOYSA-N
XLogP-0.61
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 97306008
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide (CID 104600874) is 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide is COCC(CNC(=O)c1cnn(C)c1N)OC.
What is the InChIKey of 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BEVQLYUDMKZQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-14-9(11)8(5-13-14)10(15)12-4-7(17-3)6-16-2/h5,7H,4,6,11H2,1-3H3,(H,12,15).
What are the key properties of 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104600874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).