tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate

C14H24N4O2 — CID 79462025

IUPACtert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-11-5-4-10(8-11)15-9-12-6-7-16-18-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJYSRHCHQDFZOIA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.95
Rot. Bonds4

About tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate (PubChem CID 79462025) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
PubChem CID79462025
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-11-5-4-10(8-11)15-9-12-6-7-16-18-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJYSRHCHQDFZOIA-UHFFFAOYSA-N
XLogP1.95
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
CID 167885406
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 103720141
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl 3,3-dimethyl-5-(1H-pyrazol-5-ylmethylamino)azepane-1-carboxylate
CID 154734047
3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
CID 115971882
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate (CID 79462025) is tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2ccn[nH]2)C1.
What is the InChIKey of tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate?
The InChIKey is JYSRHCHQDFZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-11-5-4-10(8-11)15-9-12-6-7-16-18-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79462025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).