3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide

C17H23N5O3 — CID 47048247

IUPAC3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
SMILESCOCCn1cc(NC(=O)N(CCC(N)=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H23N5O3/c1-25-10-9-22-13-15(11-19-22)20-17(24)21(8-7-16(18)23)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,23)(H,20,24)
InChIKeyORYVDCRYJYRPKG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.44
Rot. Bonds9

About 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide

3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide (PubChem CID 47048247) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
PubChem CID47048247
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
SMILESCOCCn1cc(NC(=O)N(CCC(N)=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H23N5O3/c1-25-10-9-22-13-15(11-19-22)20-17(24)21(8-7-16(18)23)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,23)(H,20,24)
InChIKeyORYVDCRYJYRPKG-UHFFFAOYSA-N
XLogP1.44
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(1-methylpyrazol-4-yl)amino]-6-oxohexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509980
N-[1-(3-methylbutyl)pyrazol-4-yl]-1,3-dihydroisoindole-2-carboxamide
CID 57510168
US10323038, Example 198
CID 135375596
US10323038, Example 205
CID 135375919
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
1,1-Diethyl-3-[2-(3-phenylpyrazol-1-yl)ethyl]urea
CID 155521177
2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide
CID 14978586
US10590075, Example 15
CID 129285211
US10323038, Example 212
CID 135375658
US10323038, Example 206
CID 135375884
N-{[4-(Dimethylamino)phenyl]methyl}-3-(1H-pyrazol-1-YL)propanamide
CID 16026468
2-(benzylcarbamoylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 34464122

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide (CID 47048247) is 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide is COCCn1cc(NC(=O)N(CCC(N)=O)Cc2ccccc2)cn1.
What is the InChIKey of 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide?
The InChIKey is ORYVDCRYJYRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-25-10-9-22-13-15(11-19-22)20-17(24)21(8-7-16(18)23)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,23)(H,20,24).
What are the key properties of 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide?
3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide is sourced from PubChem (CID 47048247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).