tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate

C15H26N4O2 — CID 107255938

IUPACtert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
SMILESC=CCCC(C)NCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-6-7-8-11(2)16-9-12-10-17-19-13(12)18-14(20)21-15(3,4)5/h6,10-11,16H,1,7-9H2,2-5H3,(H2,17,18,19,20)
InChIKeyMXBBAUIUAQUNCZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.20
Rot. Bonds7

About tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107255938) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107255938
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
SMILESC=CCCC(C)NCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-6-7-8-11(2)16-9-12-10-17-19-13(12)18-14(20)21-15(3,4)5/h6,10-11,16H,1,7-9H2,2-5H3,(H2,17,18,19,20)
InChIKeyMXBBAUIUAQUNCZ-UHFFFAOYSA-N
XLogP3.20
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(1-phenylethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255950
tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255953
tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255974
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255997
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013
tert-butyl N-[4-[[(2,5-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256093
tert-butyl N-[4-[[(5-methyl-2-pyridinyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256065
tert-butyl N-[4-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256114
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate (CID 107255938) is tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate is C=CCCC(C)NCc1cn[nH]c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is MXBBAUIUAQUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-7-8-11(2)16-9-12-10-17-19-13(12)18-14(20)21-15(3,4)5/h6,10-11,16H,1,7-9H2,2-5H3,(H2,17,18,19,20).
What are the key properties of tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107255938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).