2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid

C13H21N3O3 — CID 120519573

IUPAC2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11-7-14-16(9(2)3)10(11)4/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyOBADZNKYCNZUJP-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.71
Rot. Bonds6

About 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid

2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid (PubChem CID 120519573) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
PubChem CID120519573
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11-7-14-16(9(2)3)10(11)4/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyOBADZNKYCNZUJP-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519607
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
CID 119204742
N-(2-bromoethyl)-1,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 80665959
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 120519811
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid
CID 120519588
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid (CID 120519573) is 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cnn(C(C)C)c1C.
What is the InChIKey of 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The InChIKey is OBADZNKYCNZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11-7-14-16(9(2)3)10(11)4/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 120519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).