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

C14H26N4O2 — CID 107444832

IUPACtert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-13(2,3)18(12(19)20-14(4,5)6)8-7-15-11-9-16-17-10-11/h9-10,15H,7-8H2,1-6H3,(H,16,17)
InChIKeyKAWSYYBEOOPPRN-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds4

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

tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate (PubChem CID 107444832) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
PubChem CID107444832
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-13(2,3)18(12(19)20-14(4,5)6)8-7-15-11-9-16-17-10-11/h9-10,15H,7-8H2,1-6H3,(H,16,17)
InChIKeyKAWSYYBEOOPPRN-UHFFFAOYSA-N
XLogP2.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 107445970
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
CID 107445762
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-[3-methyl-2-[(1H-pyrazol-4-ylamino)methyl]butyl]carbamate
CID 107441366
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate (CID 107444832) is tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNc1cn[nH]c1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate?
The InChIKey is KAWSYYBEOOPPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-13(2,3)18(12(19)20-14(4,5)6)8-7-15-11-9-16-17-10-11/h9-10,15H,7-8H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate is sourced from PubChem (CID 107444832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).