methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate

C11H19N3O2 — CID 104646481

IUPACmethyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
SMILESCOC(=O)C(C)CC(C)Nc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-8(11(15)16-4)7-9(2)12-10-5-6-14(3)13-10/h5-6,8-9H,7H2,1-4H3,(H,12,13)
InChIKeyCEPYZFVYEKMUGV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate

methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate (PubChem CID 104646481) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
PubChem CID104646481
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
SMILESCOC(=O)C(C)CC(C)Nc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-8(11(15)16-4)7-9(2)12-10-5-6-14(3)13-10/h5-6,8-9H,7H2,1-4H3,(H,12,13)
InChIKeyCEPYZFVYEKMUGV-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
CID 97358836
N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
CID 112723454
[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
CID 155208509
1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine
CID 93314025
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
CID 79778666

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate (CID 104646481) is methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate is COC(=O)C(C)CC(C)Nc1ccn(C)n1.
What is the InChIKey of methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate?
The InChIKey is CEPYZFVYEKMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(11(15)16-4)7-9(2)12-10-5-6-14(3)13-10/h5-6,8-9H,7H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate?
methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate has a molecular weight of 225.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate is sourced from PubChem (CID 104646481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).