[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol

C16H30N4O — CID 106359996

IUPAC[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
SMILESCn1cc(C(CN)NC2CCCC2CO)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-16(2,3)15-12(9-20(4)19-15)14(8-17)18-13-7-5-6-11(13)10-21/h9,11,13-14,18,21H,5-8,10,17H2,1-4H3
InChIKeySPOOPVNJYUJLDT-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.47
Rot. Bonds5

About [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol

[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol (PubChem CID 106359996) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
PubChem CID106359996
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
SMILESCn1cc(C(CN)NC2CCCC2CO)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-16(2,3)15-12(9-20(4)19-15)14(8-17)18-13-7-5-6-11(13)10-21/h9,11,13-14,18,21H,5-8,10,17H2,1-4H3
InChIKeySPOOPVNJYUJLDT-UHFFFAOYSA-N
XLogP1.47
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-amino-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]cyclohexyl]methanol
CID 106360448
[2-[[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
CID 114178568
[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol
CID 106360163
[2-[[2-amino-1-(2,5-dichlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106359961
[2-[[2-amino-1-(2-fluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 114178543
[2-[(2-amino-1-naphthalen-1-ylethyl)amino]cyclopentyl]methanol
CID 106360045
[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360089
[2-[[2-amino-1-(2-fluoro-5-methylphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360487
[2-[(2-amino-1-thiophen-2-ylethyl)amino]cyclopentyl]methanol
CID 106360158
[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360126
[2-[[2-amino-1-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclopentyl]methanol
CID 106359978
[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
CID 106360309

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol (CID 106359996) is [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol is Cn1cc(C(CN)NC2CCCC2CO)c(C(C)(C)C)n1.
What is the InChIKey of [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol?
The InChIKey is SPOOPVNJYUJLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(2,3)15-12(9-20(4)19-15)14(8-17)18-13-7-5-6-11(13)10-21/h9,11,13-14,18,21H,5-8,10,17H2,1-4H3.
What are the key properties of [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol?
[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol has a molecular weight of 294.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106359996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).