2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

C19H21N5O3 — CID 19482356

IUPAC2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(Cn2nc(C)c(NC(=O)c3ccnn3CC(=O)O)c2C)cc1
InChIInChI=1S/C19H21N5O3/c1-12-4-6-15(7-5-12)10-23-14(3)18(13(2)22-23)21-19(27)16-8-9-20-24(16)11-17(25)26/h4-9H,10-11H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyDNZMPUHFFWEZDK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.39
Rot. Bonds6

About 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482356) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482356
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(Cn2nc(C)c(NC(=O)c3ccnn3CC(=O)O)c2C)cc1
InChIInChI=1S/C19H21N5O3/c1-12-4-6-15(7-5-12)10-23-14(3)18(13(2)22-23)21-19(27)16-8-9-20-24(16)11-17(25)26/h4-9H,10-11H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyDNZMPUHFFWEZDK-UHFFFAOYSA-N
XLogP2.39
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482340
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
4-chloro-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19337852
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491983
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19470917
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4620973
2-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19346706
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19482356) is 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is Cc1ccc(Cn2nc(C)c(NC(=O)c3ccnn3CC(=O)O)c2C)cc1.
What is the InChIKey of 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is DNZMPUHFFWEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-4-6-15(7-5-12)10-23-14(3)18(13(2)22-23)21-19(27)16-8-9-20-24(16)11-17(25)26/h4-9H,10-11H2,1-3H3,(H,21,27)(H,25,26).
What are the key properties of 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 367.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).