5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H19N5O3 — CID 19496063

IUPAC5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc(C)n(CC(C)NC(=O)c2c(C(=O)O)cnn2C)n1
InChIInChI=1S/C14H19N5O3/c1-8-5-10(3)19(17-8)7-9(2)16-13(20)12-11(14(21)22)6-15-18(12)4/h5-6,9H,7H2,1-4H3,(H,16,20)(H,21,22)
InChIKeyGTNCZHBRAZEKPI-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.75
Rot. Bonds5

About 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19496063) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19496063
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc(C)n(CC(C)NC(=O)c2c(C(=O)O)cnn2C)n1
InChIInChI=1S/C14H19N5O3/c1-8-5-10(3)19(17-8)7-9(2)16-13(20)12-11(14(21)22)6-15-18(12)4/h5-6,9H,7H2,1-4H3,(H,16,20)(H,21,22)
InChIKeyGTNCZHBRAZEKPI-UHFFFAOYSA-N
XLogP0.75
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852951
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
1-methyl-4-[(5-methyl-2-propylpyrazol-3-yl)carbamoyl]pyrazole-5-carboxylic acid
CID 19496453
5-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853873
1-methyl-5-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29095617
5-[(1-carboxy-3-methylsulfanylpropyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823930

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19496063) is 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1cc(C)n(CC(C)NC(=O)c2c(C(=O)O)cnn2C)n1.
What is the InChIKey of 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GTNCZHBRAZEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-5-10(3)19(17-8)7-9(2)16-13(20)12-11(14(21)22)6-15-18(12)4/h5-6,9H,7H2,1-4H3,(H,16,20)(H,21,22).
What are the key properties of 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19496063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).