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

C15H21N5O3 — CID 19623774

IUPAC5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)13-12(15(22)23)7-16-18(13)4/h7,9H,5-6,8H2,1-4H3,(H,22,23)
InChIKeySNTDDQONNXRHET-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.31
Rot. Bonds6

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

5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623774) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19623774
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)13-12(15(22)23)7-16-18(13)4/h7,9H,5-6,8H2,1-4H3,(H,22,23)
InChIKeySNTDDQONNXRHET-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

4-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623892
5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496048
5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623720
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
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
5-[(2-ethylpyrazol-3-yl)methyl-(2-phenylethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494352
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
1-methyl-5-[methyl(phenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19623708

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19623774) is 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCN(Cc1cn(CC)nc1C)C(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is SNTDDQONNXRHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-19(8-11-9-20(6-2)17-10(11)3)14(21)13-12(15(22)23)7-16-18(13)4/h7,9H,5-6,8H2,1-4H3,(H,22,23).
What are the key properties of 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-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 5-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).