methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate

C14H16N4O3 — CID 91648982

IUPACmethyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC(=O)c2cccnc2C)c1C
InChIInChI=1S/C14H16N4O3/c1-9-11(5-4-6-15-9)14(20)17-12-7-16-18(10(12)2)8-13(19)21-3/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyOPZVEGJWGQUAQU-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate

methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate (PubChem CID 91648982) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
PubChem CID91648982
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC(=O)c2cccnc2C)c1C
InChIInChI=1S/C14H16N4O3/c1-9-11(5-4-6-15-9)14(20)17-12-7-16-18(10(12)2)8-13(19)21-3/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyOPZVEGJWGQUAQU-UHFFFAOYSA-N
XLogP1.32
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
CID 19394235
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
methyl 2-methylpyridine-3-carboxylate
CID 7015327
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
2-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 127824011
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate (CID 91648982) is methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1ncc(NC(=O)c2cccnc2C)c1C.
What is the InChIKey of methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
The InChIKey is OPZVEGJWGQUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-11(5-4-6-15-9)14(20)17-12-7-16-18(10(12)2)8-13(19)21-3/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate?
methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate has a molecular weight of 288.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-4-[(2-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 91648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).