1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea

C11H19N5O2 — CID 13224098

IUPAC1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C11H19N5O2/c1-4-5-12-11(18)14-13-10(17)7-16-9(3)6-8(2)15-16/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,18)
InChIKeyMYOLEGIVBQNESH-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.24
Rot. Bonds4

About 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea

1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea (PubChem CID 13224098) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea.

Molecular Properties

Compound Name1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea
PubChem CID13224098
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C11H19N5O2/c1-4-5-12-11(18)14-13-10(17)7-16-9(3)6-8(2)15-16/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,18)
InChIKeyMYOLEGIVBQNESH-UHFFFAOYSA-N
XLogP0.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 821228
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-ethylhydrazinecarbothioamide
CID 4290547
1-(2-Methylpropyl)-3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 4765761
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
1-[[2-(3,5-Dimethylpyrazol-1-yl)acetyl]amino]-3-ethylurea
CID 13224097
1-Butyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
CID 13224099
1-Cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
CID 13224100
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-A]azepin-7-YL)acetamide
CID 91922655
N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 4854182
N1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N2-(2-methoxyethyl)oxalamide
CID 45585905

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea?
The IUPAC name of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea (CID 13224098) is 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea.
What is the SMILES notation for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea?
The canonical SMILES for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea is CCCNC(=O)NNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea?
The InChIKey is MYOLEGIVBQNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-12-11(18)14-13-10(17)7-16-9(3)6-8(2)15-16/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,18).
What are the key properties of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea?
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea has a molecular weight of 253.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea is sourced from PubChem (CID 13224098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).