methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate

C10H14ClN3O3 — CID 103492895

IUPACmethyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H14ClN3O3/c1-6-7(4-13-14(6)2)9(15)12-5-8(11)10(16)17-3/h4,8H,5H2,1-3H3,(H,12,15)
InChIKeyDHSATEFAFSCSFX-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.24
Rot. Bonds4

About methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate

methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 103492895) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
PubChem CID103492895
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Namemethyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H14ClN3O3/c1-6-7(4-13-14(6)2)9(15)12-5-8(11)10(16)17-3/h4,8H,5H2,1-3H3,(H,12,15)
InChIKeyDHSATEFAFSCSFX-UHFFFAOYSA-N
XLogP0.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate (CID 103492895) is methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1cnn(C)c1C.
What is the InChIKey of methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is DHSATEFAFSCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-7(4-13-14(6)2)9(15)12-5-8(11)10(16)17-3/h4,8H,5H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate?
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 259.69 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103492895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).