tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate

C12H20ClN3O2 — CID 178139555

IUPACtert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cn1nccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20ClN3O2/c1-11(2,3)18-10(17)15-12(4,5)8-16-9(13)6-7-14-16/h6-7H,8H2,1-5H3,(H,15,17)
InChIKeyQSUCASYCGBDPRC-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate (PubChem CID 178139555) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate
PubChem CID178139555
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Nametert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cn1nccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20ClN3O2/c1-11(2,3)18-10(17)15-12(4,5)8-16-9(13)6-7-14-16/h6-7H,8H2,1-5H3,(H,15,17)
InChIKeyQSUCASYCGBDPRC-UHFFFAOYSA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate
CID 178139738
(2R)-3-(5-chloropyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 124679414
tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate
CID 166542901
tert-butyl N-[2-(2,2-difluoroethyl)pyrazol-3-yl]carbamate
CID 163333219
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740278
tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
CID 114556265
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
CID 57032280
tert-butyl 3-(5-methylpyrazol-1-yl)propanoate
CID 116662728
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate (CID 178139555) is tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate is CC(C)(Cn1nccc1Cl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate?
The InChIKey is QSUCASYCGBDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-11(2,3)18-10(17)15-12(4,5)8-16-9(13)6-7-14-16/h6-7H,8H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate has a molecular weight of 273.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 178139555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).