ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate

C16H25N3O3 — CID 71198481

IUPACethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(CC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-19(15(20)12-8-6-11(3)7-9-12)14-13(10-17-18-14)16(21)22-5-2/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeySSXVWQRAUINTBZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.77
Rot. Bonds5

About ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 71198481) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
PubChem CID71198481
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(CC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-19(15(20)12-8-6-11(3)7-9-12)14-13(10-17-18-14)16(21)22-5-2/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeySSXVWQRAUINTBZ-UHFFFAOYSA-N
XLogP2.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate (CID 71198481) is ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1N(CC)C(=O)C1CCC(C)CC1.
What is the InChIKey of ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is SSXVWQRAUINTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-19(15(20)12-8-6-11(3)7-9-12)14-13(10-17-18-14)16(21)22-5-2/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 71198481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).