ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate

C12H19N5O3 — CID 60617047

IUPACethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C12H19N5O3/c1-3-20-12(19)17-8-6-16(7-9-17)11(18)13-10-4-5-15(2)14-10/h4-5H,3,6-9H2,1-2H3,(H,13,14,18)
InChIKeyPJLXXAYUFUUDIX-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.73
Rot. Bonds2

About ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 60617047) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID60617047
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Nameethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C12H19N5O3/c1-3-20-12(19)17-8-6-16(7-9-17)11(18)13-10-4-5-15(2)14-10/h4-5H,3,6-9H2,1-2H3,(H,13,14,18)
InChIKeyPJLXXAYUFUUDIX-UHFFFAOYSA-N
XLogP0.73
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 60616938
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
ethyl 2-[[(1-methylpyrazol-3-yl)amino]methyl]prop-2-enoate
CID 103256828
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
ethyl 4-[(5-bromofuran-2-yl)carbamoyl]piperazine-1-carboxylate
CID 108873084
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate (CID 60617047) is ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccn(C)n2)CC1.
What is the InChIKey of ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is PJLXXAYUFUUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-20-12(19)17-8-6-16(7-9-17)11(18)13-10-4-5-15(2)14-10/h4-5H,3,6-9H2,1-2H3,(H,13,14,18).
What are the key properties of ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 60617047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).