tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate

C13H24N4O2 — CID 107251255

IUPACtert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccn[nH]1
InChIInChI=1S/C13H24N4O2/c1-5-10(14-9-11-6-7-16-17-11)8-15-12(18)19-13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyQSJWOWKGRKFHBB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.80
Rot. Bonds6

About tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate

tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate (PubChem CID 107251255) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
PubChem CID107251255
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nametert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccn[nH]1
InChIInChI=1S/C13H24N4O2/c1-5-10(14-9-11-6-7-16-17-11)8-15-12(18)19-13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyQSJWOWKGRKFHBB-UHFFFAOYSA-N
XLogP1.80
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
CID 107251140
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate (CID 107251255) is tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1ccn[nH]1.
What is the InChIKey of tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate?
The InChIKey is QSJWOWKGRKFHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10(14-9-11-6-7-16-17-11)8-15-12(18)19-13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate?
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate is sourced from PubChem (CID 107251255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).