ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate

C12H20N4O3 — CID 38482795

IUPACethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H20N4O3/c1-4-19-12(18)13-6-5-11(17)15(2)8-10-7-14-16(3)9-10/h7,9H,4-6,8H2,1-3H3,(H,13,18)
InChIKeyMBVVFKZCFBOAIP-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.51
Rot. Bonds6

About ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate (PubChem CID 38482795) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate
PubChem CID38482795
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nameethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H20N4O3/c1-4-19-12(18)13-6-5-11(17)15(2)8-10-7-14-16(3)9-10/h7,9H,4-6,8H2,1-3H3,(H,13,18)
InChIKeyMBVVFKZCFBOAIP-UHFFFAOYSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate (CID 38482795) is ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate?
The InChIKey is MBVVFKZCFBOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-19-12(18)13-6-5-11(17)15(2)8-10-7-14-16(3)9-10/h7,9H,4-6,8H2,1-3H3,(H,13,18).
What are the key properties of ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate has a molecular weight of 268.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 38482795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).