2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid

C19H25N3O4 — CID 120696595

IUPAC2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)CCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H25N3O4/c1-13(2)9-10-26-16-7-5-14(6-8-16)17(23)21-15-11-20-22(12-15)19(3,4)18(24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyYYQXMZNWMQLAGP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.38
Rot. Bonds8

About 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696595) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120696595
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)CCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H25N3O4/c1-13(2)9-10-26-16-7-5-14(6-8-16)17(23)21-15-11-20-22(12-15)19(3,4)18(24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyYYQXMZNWMQLAGP-UHFFFAOYSA-N
XLogP3.38
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid (CID 120696595) is 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid is CC(C)CCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is YYQXMZNWMQLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)9-10-26-16-7-5-14(6-8-16)17(23)21-15-11-20-22(12-15)19(3,4)18(24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)(H,24,25).
What are the key properties of 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).