tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

C17H30N4O2 — CID 103947994

IUPACtert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1n[nH]c(C)c1CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11-14(12(2)21-20-11)10-18-15-8-6-7-13(15)9-19-16(22)23-17(3,4)5/h13,15,18H,6-10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyNXOLINXTOVVTBY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.81
Rot. Bonds5

About tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 103947994) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID103947994
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1n[nH]c(C)c1CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11-14(12(2)21-20-11)10-18-15-8-6-7-13(15)9-19-16(22)23-17(3,4)5/h13,15,18H,6-10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyNXOLINXTOVVTBY-UHFFFAOYSA-N
XLogP2.81
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (CID 103947994) is tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is Cc1n[nH]c(C)c1CNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is NXOLINXTOVVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11-14(12(2)21-20-11)10-18-15-8-6-7-13(15)9-19-16(22)23-17(3,4)5/h13,15,18H,6-10H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103947994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).