tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate

C14H26N4O2 — CID 107255997

IUPACtert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
SMILESCCCCCNCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-5-6-7-8-15-9-11-10-16-18-12(11)17-13(19)20-14(2,3)4/h10,15H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyPWQMLORWBUEOPM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.04
Rot. Bonds7

About tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107255997) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107255997
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
SMILESCCCCCNCc1cn[nH]c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-5-6-7-8-15-9-11-10-16-18-12(11)17-13(19)20-14(2,3)4/h10,15H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyPWQMLORWBUEOPM-UHFFFAOYSA-N
XLogP3.04
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
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
tert-butyl N-[4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256103
tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256095
tert-butyl N-[4-[[(2,5-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256093
tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256167
tert-butyl N-[4-[(oxan-3-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate (CID 107255997) is tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate is CCCCCNCc1cn[nH]c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is PWQMLORWBUEOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-6-7-8-15-9-11-10-16-18-12(11)17-13(19)20-14(2,3)4/h10,15H,5-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 3.04, 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-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107255997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).