2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid

C15H25N3O3 — CID 120519607

IUPAC2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(C(CC)CC)c1C
InChIInChI=1S/C15H25N3O3/c1-5-8-17(10-14(19)20)15(21)13-9-16-18(11(13)4)12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyUWBZCUPKYYMJBE-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.49
Rot. Bonds8

About 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid (PubChem CID 120519607) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
PubChem CID120519607
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(C(CC)CC)c1C
InChIInChI=1S/C15H25N3O3/c1-5-8-17(10-14(19)20)15(21)13-9-16-18(11(13)4)12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyUWBZCUPKYYMJBE-UHFFFAOYSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519573
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
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
N-(2-bromoethyl)-1,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 80665959
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid (CID 120519607) is 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cnn(C(CC)CC)c1C.
What is the InChIKey of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
The InChIKey is UWBZCUPKYYMJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-8-17(10-14(19)20)15(21)13-9-16-18(11(13)4)12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid?
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 120519607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).