methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate

C10H15N3O3 — CID 60779531

IUPACmethyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccn[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)16-3)10(15)8-4-5-11-12-8/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyGLUSLRFXQXVFCB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds4

About methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate

methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate (PubChem CID 60779531) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
PubChem CID60779531
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccn[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)16-3)10(15)8-4-5-11-12-8/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyGLUSLRFXQXVFCB-UHFFFAOYSA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63393978
methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
CID 112706645
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
methyl 2-[(5-hydroxypyridine-3-carbonyl)-propan-2-ylamino]acetate
CID 63850866
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63225607

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate (CID 60779531) is methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccn[nH]1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate?
The InChIKey is GLUSLRFXQXVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)16-3)10(15)8-4-5-11-12-8/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate?
methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate has a molecular weight of 225.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 60779531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).