4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid

C15H21N5O3 — CID 19623892

IUPAC4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)12-7-16-18(4)13(12)15(22)23/h7,9H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyNDEFFLWDFHDOHJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.31
Rot. Bonds6

About 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid

4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19623892) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID19623892
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)12-7-16-18(4)13(12)15(22)23/h7,9H,5-6,8H2,1-4H3,(H,22,23)
InChIKeyNDEFFLWDFHDOHJ-UHFFFAOYSA-N
XLogP1.31
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623774
5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496048
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22203942
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624363
4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
CID 19507734
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44822035
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid (CID 19623892) is 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid is CCN(Cc1cn(CC)nc1C)C(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is NDEFFLWDFHDOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)12-7-16-18(4)13(12)15(22)23/h7,9H,5-6,8H2,1-4H3,(H,22,23).
What are the key properties of 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 319.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19623892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).