tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate

C13H17N5O2 — CID 122456834

IUPACtert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
SMILESCc1nn(-c2cncnc2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17N5O2/c1-9-11(16-12(19)20-13(2,3)4)7-18(17-9)10-5-14-8-15-6-10/h5-8H,1-4H3,(H,16,19)
InChIKeyQCIXJWUOROSKKP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate

tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate (PubChem CID 122456834) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
PubChem CID122456834
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nametert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
SMILESCc1nn(-c2cncnc2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17N5O2/c1-9-11(16-12(19)20-13(2,3)4)7-18(17-9)10-5-14-8-15-6-10/h5-8H,1-4H3,(H,16,19)
InChIKeyQCIXJWUOROSKKP-UHFFFAOYSA-N
XLogP2.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-methyl-N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate;tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
CID 161477057
tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
CID 90359788
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-(4-methyl-2-pyrimidin-5-ylpyrimidin-5-yl)carbamate;4-methyl-2-pyrimidin-5-ylpyrimidin-5-amine
CID 157145685
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
CID 138494591
propyl 3-methyl-1-pyrimidin-5-ylpyrazole-4-carboxylate
CID 155112594
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate (CID 122456834) is tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate is Cc1nn(-c2cncnc2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate?
The InChIKey is QCIXJWUOROSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-11(16-12(19)20-13(2,3)4)7-18(17-9)10-5-14-8-15-6-10/h5-8H,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate?
tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate has a molecular weight of 275.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate is sourced from PubChem (CID 122456834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).