ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate

C17H23N5O3 — CID 2740958

IUPACethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)NC(C)C)c1C
InChIInChI=1S/C17H23N5O3/c1-6-25-16(23)14-11(4)21-22(12(14)5)15-13(8-7-9-18-15)20-17(24)19-10(2)3/h7-10H,6H2,1-5H3,(H2,19,20,24)
InChIKeyFQDNRWRCHXKGQX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.59
Rot. Bonds5

About ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate

ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 2740958) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID2740958
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nameethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)NC(C)C)c1C
InChIInChI=1S/C17H23N5O3/c1-6-25-16(23)14-11(4)21-22(12(14)5)15-13(8-7-9-18-15)20-17(24)19-10(2)3/h7-10H,6H2,1-5H3,(H2,19,20,24)
InChIKeyFQDNRWRCHXKGQX-UHFFFAOYSA-N
XLogP2.59
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5-{[(ethylamino)carbonyl]amino}-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 1477623
4-({2-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridyl}amino)-4-oxobutanoic acid
CID 2740945
ethyl 4-{[4-(dimethylamino)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662147
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate
CID 663159
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylanilino)pyrimidine-5-carboxylate
CID 1891364
Ethyl 4-(benzylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662954
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(1-phenylethylamino)pyrimidine-5-carboxylate
CID 663060
Ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate
CID 165415312
Ethyl 1-[3-[(2,3-dichlorophenyl)carbamoylamino]-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2740956
ethyl 3-methyl-5-[2-(4-pyridinylmethylene)hydrazino]-1H-pyrazole-4-carboxylate
CID 9566388
ethyl 5-amino-1-(4-methylpyridin-2-yl)-1H-pyrazole-4-carboxylate
CID 24253020
Ethyl 1-[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440863

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate (CID 2740958) is ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)NC(C)C)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is FQDNRWRCHXKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-6-25-16(23)14-11(4)21-22(12(14)5)15-13(8-7-9-18-15)20-17(24)19-10(2)3/h7-10H,6H2,1-5H3,(H2,19,20,24).
What are the key properties of ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-1-[3-(propan-2-ylcarbamoylamino)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 2740958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).