tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate

C11H13IN4O2 — CID 118686645

IUPACtert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nn2cccnc2c1I
InChIInChI=1S/C11H13IN4O2/c1-11(2,3)18-10(17)14-8-7(12)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,14,15,17)
InChIKeyYFAKIGKNCHDQDR-UHFFFAOYSA-N
MW360.16 g/mol
LogP2.68
Rot. Bonds1

About tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate

tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate (PubChem CID 118686645) has the molecular formula C11H13IN4O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate
PubChem CID118686645
Molecular FormulaC11H13IN4O2
Molecular Weight360.16 g/mol
Exact Mass360.01
IUPAC Nametert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nn2cccnc2c1I
InChIInChI=1S/C11H13IN4O2/c1-11(2,3)18-10(17)14-8-7(12)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,14,15,17)
InChIKeyYFAKIGKNCHDQDR-UHFFFAOYSA-N
XLogP2.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-ethylsulfanylimidazo[1,2-a]pyrimidin-2-yl)carbamate
CID 155183219
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate
CID 141397022
tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
CID 170490610
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
tert-butyl N-(2-methylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 118344882
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 170622859
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate (CID 118686645) is tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nn2cccnc2c1I.
What is the InChIKey of tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate?
The InChIKey is YFAKIGKNCHDQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2/c1-11(2,3)18-10(17)14-8-7(12)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,14,15,17).
What are the key properties of tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate?
tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate has a molecular weight of 360.16 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate is sourced from PubChem (CID 118686645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).