tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate

C15H26N4O2 — CID 104844685

IUPACtert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCn1cc(CNC2CCCC2NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-8-11-9-17-19(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3,(H,18,20)
InChIKeyHRFYGMNSDOPRGU-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds4

About tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate (PubChem CID 104844685) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
PubChem CID104844685
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCn1cc(CNC2CCCC2NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-8-11-9-17-19(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3,(H,18,20)
InChIKeyHRFYGMNSDOPRGU-UHFFFAOYSA-N
XLogP1.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
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-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
CID 113351520
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99604197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate (CID 104844685) is tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate is Cn1cc(CNC2CCCC2NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is HRFYGMNSDOPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-8-11-9-17-19(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 104844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).