tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate

C17H30N4O2 — CID 107243745

IUPACtert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
SMILESCCCn1nccc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-5-11-21-13(9-10-19-21)12-18-14-7-6-8-15(14)20-16(22)23-17(2,3)4/h9-10,14-15,18H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyQIZXVRWOBLZGMQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.83
Rot. Bonds6

About tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate (PubChem CID 107243745) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
PubChem CID107243745
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
SMILESCCCn1nccc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-5-11-21-13(9-10-19-21)12-18-14-7-6-8-15(14)20-16(22)23-17(2,3)4/h9-10,14-15,18H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyQIZXVRWOBLZGMQ-UHFFFAOYSA-N
XLogP2.83
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cycloheptyl]carbamate
CID 103082543
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107254264
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate (CID 107243745) is tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate is CCCn1nccc1CNC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is QIZXVRWOBLZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-11-21-13(9-10-19-21)12-18-14-7-6-8-15(14)20-16(22)23-17(2,3)4/h9-10,14-15,18H,5-8,11-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 107243745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).