ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate

C15H22N4O3 — CID 74236523

IUPACethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C3CC3)n[nH]c2C)CC1
InChIInChI=1S/C15H22N4O3/c1-3-22-15(21)19-8-6-18(7-9-19)14(20)12-10(2)16-17-13(12)11-4-5-11/h11H,3-9H2,1-2H3,(H,16,17)
InChIKeyPLKFRAGXLQOUPC-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.51
Rot. Bonds3

About ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 74236523) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID74236523
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nameethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C3CC3)n[nH]c2C)CC1
InChIInChI=1S/C15H22N4O3/c1-3-22-15(21)19-8-6-18(7-9-19)14(20)12-10(2)16-17-13(12)11-4-5-11/h11H,3-9H2,1-2H3,(H,16,17)
InChIKeyPLKFRAGXLQOUPC-UHFFFAOYSA-N
XLogP1.51
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate (CID 74236523) is ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(C3CC3)n[nH]c2C)CC1.
What is the InChIKey of ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is PLKFRAGXLQOUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-22-15(21)19-8-6-18(7-9-19)14(20)12-10(2)16-17-13(12)11-4-5-11/h11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 74236523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).