1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C23H23N5O3 — CID 19504517

IUPAC1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C(C)n1ccc(C(=O)O)n1
InChIInChI=1S/C23H23N5O3/c1-14-21(24-22(29)16(3)27-12-11-20(26-27)23(30)31)15(2)28(25-14)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,16H,13H2,1-3H3,(H,24,29)(H,30,31)
InChIKeyHJMCNVVGEKHLCW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.80
Rot. Bonds6

About 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19504517) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19504517
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C(C)n1ccc(C(=O)O)n1
InChIInChI=1S/C23H23N5O3/c1-14-21(24-22(29)16(3)27-12-11-20(26-27)23(30)31)15(2)28(25-14)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,16H,13H2,1-3H3,(H,24,29)(H,30,31)
InChIKeyHJMCNVVGEKHLCW-UHFFFAOYSA-N
XLogP3.80
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504445
1-[1-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506246
1-[1-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506405
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19534194
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 1272887
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335833
1-[1-[(1-benzyl-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506267
1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 2957512
2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19538527
methyl 2-[[3,5-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazol-1-yl]methyl]benzoate
CID 19406763

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19504517) is 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C(C)n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is HJMCNVVGEKHLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-21(24-22(29)16(3)27-12-11-20(26-27)23(30)31)15(2)28(25-14)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,16H,13H2,1-3H3,(H,24,29)(H,30,31).
What are the key properties of 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 417.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19504517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).