methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate

C11H17N3O3 — CID 86848865

IUPACmethyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H17N3O3/c1-8-7-9(14-13-8)11(16)12-6-4-3-5-10(15)17-2/h7H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyXADPYDPYRWOJAW-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.79
Rot. Bonds6

About methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate

methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate (PubChem CID 86848865) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
PubChem CID86848865
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H17N3O3/c1-8-7-9(14-13-8)11(16)12-6-4-3-5-10(15)17-2/h7H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyXADPYDPYRWOJAW-UHFFFAOYSA-N
XLogP0.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
methyl 7-[(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)amino]heptanoate
CID 47061209
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
CID 113225419
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate (CID 86848865) is methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate is COC(=O)CCCCNC(=O)c1cc(C)[nH]n1.
What is the InChIKey of methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate?
The InChIKey is XADPYDPYRWOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-7-9(14-13-8)11(16)12-6-4-3-5-10(15)17-2/h7H,3-6H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate?
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate has a molecular weight of 239.27 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 86848865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).