5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C15H20N6O4 — CID 19494328

IUPAC5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C15H20N6O4/c1-4-6-16-13(22)11-10(8-21(5-2)19-11)18-14(23)12-9(15(24)25)7-17-20(12)3/h7-8H,4-6H2,1-3H3,(H,16,22)(H,18,23)(H,24,25)
InChIKeySOPTWMLSDDLJFC-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.73
Rot. Bonds7

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

5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19494328) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19494328
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C15H20N6O4/c1-4-6-16-13(22)11-10(8-21(5-2)19-11)18-14(23)12-9(15(24)25)7-17-20(12)3/h7-8H,4-6H2,1-3H3,(H,16,22)(H,18,23)(H,24,25)
InChIKeySOPTWMLSDDLJFC-UHFFFAOYSA-N
XLogP0.73
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470768
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
5-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496048
1-[3-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483194
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
CID 19398313

Frequently Asked Questions

What is the IUPAC name of 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19494328) is 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is SOPTWMLSDDLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-4-6-16-13(22)11-10(8-21(5-2)19-11)18-14(23)12-9(15(24)25)7-17-20(12)3/h7-8H,4-6H2,1-3H3,(H,16,22)(H,18,23)(H,24,25).
What are the key properties of 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19494328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).