1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

C16H22N6O4 — CID 19470768

IUPAC1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)CCn1ccc(C(=O)O)n1
InChIInChI=1S/C16H22N6O4/c1-3-7-17-15(24)14-12(10-21(4-2)20-14)18-13(23)6-9-22-8-5-11(19-22)16(25)26/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,24)(H,18,23)(H,25,26)
InChIKeyOTHHFVCHHBCWNE-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.97
Rot. Bonds9

About 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470768) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19470768
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)CCn1ccc(C(=O)O)n1
InChIInChI=1S/C16H22N6O4/c1-3-7-17-15(24)14-12(10-21(4-2)20-14)18-13(23)6-9-22-8-5-11(19-22)16(25)26/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,24)(H,18,23)(H,25,26)
InChIKeyOTHHFVCHHBCWNE-UHFFFAOYSA-N
XLogP0.97
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483194
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470772
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400129
1-[3-(2,3-dimethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470518
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
1-[3-[2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470867

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470768) is 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is CCCNC(=O)c1nn(CC)cc1NC(=O)CCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is OTHHFVCHHBCWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-3-7-17-15(24)14-12(10-21(4-2)20-14)18-13(23)6-9-22-8-5-11(19-22)16(25)26/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,24)(H,18,23)(H,25,26).
What are the key properties of 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 0.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).