(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid

C24H21N3O3 — CID 44517646

IUPAC(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1
InChIKeyVKQVQSJCBBIJFN-OAQYLSRUSA-N
MW399.45 g/mol
LogP3.67
Rot. Bonds6

About (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid

(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid (PubChem CID 44517646) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
PubChem CID44517646
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1
InChIKeyVKQVQSJCBBIJFN-OAQYLSRUSA-N
XLogP3.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid (CID 44517646) is (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid is Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is VKQVQSJCBBIJFN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 399.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 44517646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).