tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate

C15H23N5O2 — CID 104952142

IUPACtert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate
SMILESCn1cc(Cn2cncc2CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H23N5O2/c1-15(2,3)22-14(21)17-6-5-13-8-16-11-20(13)10-12-7-18-19(4)9-12/h7-9,11H,5-6,10H2,1-4H3,(H,17,21)
InChIKeyVQYLZLWKMCAHFL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate (PubChem CID 104952142) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate
PubChem CID104952142
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Nametert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate
SMILESCn1cc(Cn2cncc2CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H23N5O2/c1-15(2,3)22-14(21)17-6-5-13-8-16-11-20(13)10-12-7-18-19(4)9-12/h7-9,11H,5-6,10H2,1-4H3,(H,17,21)
InChIKeyVQYLZLWKMCAHFL-UHFFFAOYSA-N
XLogP1.73
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
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tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111885251
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
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tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[2-[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952122
tert-butyl N-[2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114720434
tert-butyl N-[2-[3-[2-(oxan-2-yl)ethyl]imidazol-4-yl]ethyl]carbamate
CID 106000286
tert-butyl N-[2-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952107
tert-butyl N-[2-[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952245
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104951999

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate (CID 104952142) is tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate is Cn1cc(Cn2cncc2CCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate?
The InChIKey is VQYLZLWKMCAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-15(2,3)22-14(21)17-6-5-13-8-16-11-20(13)10-12-7-18-19(4)9-12/h7-9,11H,5-6,10H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104952142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).