tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate

C12H20N4O2 — CID 146155035

IUPACtert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate
SMILESCc1nn2c(c1NC(=O)OC(C)(C)C)NCCC2
InChIInChI=1S/C12H20N4O2/c1-8-9(14-11(17)18-12(2,3)4)10-13-6-5-7-16(10)15-8/h13H,5-7H2,1-4H3,(H,14,17)
InChIKeyLFRCLLVZKQZECJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate

tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate (PubChem CID 146155035) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate
PubChem CID146155035
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate
SMILESCc1nn2c(c1NC(=O)OC(C)(C)C)NCCC2
InChIInChI=1S/C12H20N4O2/c1-8-9(14-11(17)18-12(2,3)4)10-13-6-5-7-16(10)15-8/h13H,5-7H2,1-4H3,(H,14,17)
InChIKeyLFRCLLVZKQZECJ-UHFFFAOYSA-N
XLogP2.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolooxadiazinone, 2b
CID 136086882
N-(1,3-dimethyl-5-piperazin-1-ylpyrazol-4-yl)butanamide
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tert-butyl (6S)-1,3,6-trimethyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyrazine-4-carboxylate
CID 136683249
tert-butyl N-[[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]carbamate
CID 168965805
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine
CID 137205257
tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 58440878
Tert-butyl 4-(4-amino-1,5-dimethylpyrazol-3-yl)piperazine-1-carboxylate
CID 124108822
Tert-butyl 4-[1,5-dimethyl-4-(2-oxoimidazolidin-1-yl)pyrazol-3-yl]piperazine-1-carboxylate
CID 124108833
Tert-butyl 4-[4-[(2-amino-2-methylpropyl)amino]-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
CID 124108900
4-[4-[(2-Amino-2-methylpropyl)amino]-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylic acid
CID 124108929
Tert-butyl 4-[4-(2-hydroxyethylamino)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
CID 124108936
Tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
CID 135262347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate (CID 146155035) is tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate is Cc1nn2c(c1NC(=O)OC(C)(C)C)NCCC2.
What is the InChIKey of tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate?
The InChIKey is LFRCLLVZKQZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-9(14-11(17)18-12(2,3)4)10-13-6-5-7-16(10)15-8/h13H,5-7H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate?
tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate has a molecular weight of 252.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate is sourced from PubChem (CID 146155035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).