ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate

C16H21N5O3 — CID 1477623

IUPACethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCNC(=O)Nc1ccc(-n2nc(C)c(C(=O)OCC)c2C)nc1
InChIInChI=1S/C16H21N5O3/c1-5-17-16(23)19-12-7-8-13(18-9-12)21-11(4)14(10(3)20-21)15(22)24-6-2/h7-9H,5-6H2,1-4H3,(H2,17,19,23)
InChIKeyAVJBVRUSTZVJJP-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.20
Rot. Bonds5

About ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 1477623) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
PubChem CID1477623
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCNC(=O)Nc1ccc(-n2nc(C)c(C(=O)OCC)c2C)nc1
InChIInChI=1S/C16H21N5O3/c1-5-17-16(23)19-12-7-8-13(18-9-12)21-11(4)14(10(3)20-21)15(22)24-6-2/h7-9H,5-6H2,1-4H3,(H2,17,19,23)
InChIKeyAVJBVRUSTZVJJP-UHFFFAOYSA-N
XLogP2.20
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate (CID 1477623) is ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate is CCNC(=O)Nc1ccc(-n2nc(C)c(C(=O)OCC)c2C)nc1.
What is the InChIKey of ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is AVJBVRUSTZVJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-5-17-16(23)19-12-7-8-13(18-9-12)21-11(4)14(10(3)20-21)15(22)24-6-2/h7-9H,5-6H2,1-4H3,(H2,17,19,23).
What are the key properties of ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(ethylcarbamoylamino)-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 1477623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).