tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate

C13H24N4O2 — CID 165457492

IUPACtert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate
SMILESCC(C)NCc1cc(NC(=O)OC(C)(C)C)nn1C
InChIInChI=1S/C13H24N4O2/c1-9(2)14-8-10-7-11(16-17(10)6)15-12(18)19-13(3,4)5/h7,9,14H,8H2,1-6H3,(H,15,16,18)
InChIKeyGZWKSZOTDIPMFJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate

tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate (PubChem CID 165457492) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate
PubChem CID165457492
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nametert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate
SMILESCC(C)NCc1cc(NC(=O)OC(C)(C)C)nn1C
InChIInChI=1S/C13H24N4O2/c1-9(2)14-8-10-7-11(16-17(10)6)15-12(18)19-13(3,4)5/h7,9,14H,8H2,1-6H3,(H,15,16,18)
InChIKeyGZWKSZOTDIPMFJ-UHFFFAOYSA-N
XLogP2.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-(5-nitro-1-propan-2-ylpyrazol-3-yl)carbamate
CID 163333229
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[4-[4-[(3-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]phenyl]phenyl]carbamate
CID 177055314
tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate
CID 162363860
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate (CID 165457492) is tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate is CC(C)NCc1cc(NC(=O)OC(C)(C)C)nn1C.
What is the InChIKey of tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate?
The InChIKey is GZWKSZOTDIPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)14-8-10-7-11(16-17(10)6)15-12(18)19-13(3,4)5/h7,9,14H,8H2,1-6H3,(H,15,16,18).
What are the key properties of tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate?
tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 165457492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).