tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate

C15H26N4O2 — CID 99599015

IUPACtert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
SMILESCn1nccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-10-11-8-9-17-19(11)4/h8-9,12-13,16H,5-7,10H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyWGQOAFFFPSMXRI-OLZOCXBDSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds4

About tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate (PubChem CID 99599015) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
PubChem CID99599015
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
SMILESCn1nccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-10-11-8-9-17-19(11)4/h8-9,12-13,16H,5-7,10H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyWGQOAFFFPSMXRI-OLZOCXBDSA-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-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
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-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43663217
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate (CID 99599015) is tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate is Cn1nccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is WGQOAFFFPSMXRI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-13-7-5-6-12(13)16-10-11-8-9-17-19(11)4/h8-9,12-13,16H,5-7,10H2,1-4H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-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-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 99599015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).