tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate

C18H26N4O2 — CID 84591469

IUPACtert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate
SMILESCCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)cn1
InChIInChI=1S/C18H26N4O2/c1-6-22-12-14(11-20-22)10-19-16-8-7-15(9-13(16)2)21-17(23)24-18(3,4)5/h7-9,11-12,19H,6,10H2,1-5H3,(H,21,23)
InChIKeyVXFKYWGQZPYYCQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.17
Rot. Bonds5

About tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate

tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate (PubChem CID 84591469) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate
PubChem CID84591469
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate
SMILESCCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)cn1
InChIInChI=1S/C18H26N4O2/c1-6-22-12-14(11-20-22)10-19-16-8-7-15(9-13(16)2)21-17(23)24-18(3,4)5/h7-9,11-12,19H,6,10H2,1-5H3,(H,21,23)
InChIKeyVXFKYWGQZPYYCQ-UHFFFAOYSA-N
XLogP4.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate (CID 84591469) is tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate is CCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)cn1.
What is the InChIKey of tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate?
The InChIKey is VXFKYWGQZPYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-22-12-14(11-20-22)10-19-16-8-7-15(9-13(16)2)21-17(23)24-18(3,4)5/h7-9,11-12,19H,6,10H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate?
tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylphenyl]carbamate is sourced from PubChem (CID 84591469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).