N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide

C13H23N5O2 — CID 72909525

IUPACN-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
SMILESCCC(C)n1nc(C)cc1NC(=O)NCCNC(C)=O
InChIInChI=1S/C13H23N5O2/c1-5-10(3)18-12(8-9(2)17-18)16-13(20)15-7-6-14-11(4)19/h8,10H,5-7H2,1-4H3,(H,14,19)(H2,15,16,20)
InChIKeyKJMSIFGBIACMGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.42
Rot. Bonds6

About N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide

N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide (PubChem CID 72909525) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
PubChem CID72909525
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
SMILESCCC(C)n1nc(C)cc1NC(=O)NCCNC(C)=O
InChIInChI=1S/C13H23N5O2/c1-5-10(3)18-12(8-9(2)17-18)16-13(20)15-7-6-14-11(4)19/h8,10H,5-7H2,1-4H3,(H,14,19)(H2,15,16,20)
InChIKeyKJMSIFGBIACMGL-UHFFFAOYSA-N
XLogP1.42
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 39030403
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide (CID 72909525) is N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide is CCC(C)n1nc(C)cc1NC(=O)NCCNC(C)=O.
What is the InChIKey of N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is KJMSIFGBIACMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-10(3)18-12(8-9(2)17-18)16-13(20)15-7-6-14-11(4)19/h8,10H,5-7H2,1-4H3,(H,14,19)(H2,15,16,20).
What are the key properties of N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 72909525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).