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

C24H21N3O3 — CID 75039802

IUPAC2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC(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)
InChIKeyVKQVQSJCBBIJFN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.67
Rot. Bonds6

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

2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid (PubChem CID 75039802) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
PubChem CID75039802
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC(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)
InChIKeyVKQVQSJCBBIJFN-UHFFFAOYSA-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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Related Compounds

4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
3-[2-{[(1-Naphthylmethyl)amino]carbonyl}-4-(1Hpyrazol-1-ylmethyl)phenyl]propanoic aci
CID 23017180
2-[3,5-Dimethyl-1-[[2-methyl-4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071679
2-[3,5-Diethyl-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071689
2-[3,5-Diethyl-1-[[4-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071719
2-[1-[[4-(Naphthalene-2-carbonylamino)phenyl]methyl]-5-propan-2-yl-3-propylpyrazol-4-yl]acetic acid
CID 58071784
N-((1-((4-Fluorophenyl)methyl)-1H-indazol-3-YL)carbonyl)-L-valine
CID 129532629
(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
CID 44517646
N-{2-[2-(3,4-Dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(3-fluorophenyl)acetamide
CID 91892839
[4-(Hydroxymethyl)piperidin-1-yl]-(1-methyl-3-naphthalen-1-ylpyrazol-5-yl)methanone
CID 137652480
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389
2-[4-[1-[(1-Methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]acetic acid
CID 155559154

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid (CID 75039802) is 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid is Cn1nc(-c2ccccc2)cc1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is VKQVQSJCBBIJFN-UHFFFAOYSA-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).
What are the key properties of 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid?
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 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 75039802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).