2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid

C23H25N3O3 — CID 120543473

IUPAC2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)n1nc(C(=O)NC(C(=O)O)c2ccc3ccccc3c2)cc1C1CC1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)26-19(15-9-10-15)13-18(25-26)21(27)24-20(22(28)29)17-11-8-14-6-4-5-7-16(14)12-17/h4-8,11-13,15,20H,9-10H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyYLFKIBQOLCGJFW-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.22
Rot. Bonds5

About 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid

2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid (PubChem CID 120543473) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid
PubChem CID120543473
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)n1nc(C(=O)NC(C(=O)O)c2ccc3ccccc3c2)cc1C1CC1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)26-19(15-9-10-15)13-18(25-26)21(27)24-20(22(28)29)17-11-8-14-6-4-5-7-16(14)12-17/h4-8,11-13,15,20H,9-10H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyYLFKIBQOLCGJFW-UHFFFAOYSA-N
XLogP4.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide
CID 87010988
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 55939941
methyl (3S)-3-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 52639900
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 94035417
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 119495118
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
2-[[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243382
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid (CID 120543473) is 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid is CC(C)(C)n1nc(C(=O)NC(C(=O)O)c2ccc3ccccc3c2)cc1C1CC1.
What is the InChIKey of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid?
The InChIKey is YLFKIBQOLCGJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)26-19(15-9-10-15)13-18(25-26)21(27)24-20(22(28)29)17-11-8-14-6-4-5-7-16(14)12-17/h4-8,11-13,15,20H,9-10H2,1-3H3,(H,24,27)(H,28,29).
What are the key properties of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid?
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid has a molecular weight of 391.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).