tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate

C14H26N4O2 — CID 107441366

IUPACtert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNc1cn[nH]c1
InChIInChI=1S/C14H26N4O2/c1-10(2)11(6-15-12-8-17-18-9-12)7-16-13(19)20-14(3,4)5/h8-11,15H,6-7H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyBHLMDIYWFBIHRQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate

tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate (PubChem CID 107441366) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate
PubChem CID107441366
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNc1cn[nH]c1
InChIInChI=1S/C14H26N4O2/c1-10(2)11(6-15-12-8-17-18-9-12)7-16-13(19)20-14(3,4)5/h8-11,15H,6-7H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyBHLMDIYWFBIHRQ-UHFFFAOYSA-N
XLogP2.62
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-methyl-2-[(4-methylsulfanylanilino)methyl]butyl]carbamate
CID 107440974
tert-butyl N-[2-[(4-bromo-3-chloroanilino)methyl]-3-methylbutyl]carbamate
CID 107619297
tert-butyl N-[2-[(2,5-dimethylanilino)methyl]-3-methylbutyl]carbamate
CID 107441111
tert-butyl N-[3-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butyl]carbamate
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tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[3-methyl-2-[(2-pyridin-4-ylethylamino)methyl]butyl]carbamate
CID 107441867
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[2-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-3-methylbutyl]carbamate
CID 107442814
tert-butyl N-[3-methyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]butyl]carbamate
CID 107442025
tert-butyl N-[3-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442018
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate (CID 107441366) is tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNc1cn[nH]c1.
What is the InChIKey of tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate?
The InChIKey is BHLMDIYWFBIHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)11(6-15-12-8-17-18-9-12)7-16-13(19)20-14(3,4)5/h8-11,15H,6-7H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate is sourced from PubChem (CID 107441366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).