1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol

C14H22F3N3O2 — CID 122154380

IUPAC1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCn1cc(C(NCC(C)(O)C(F)(F)F)C2(CO)CCC2)cn1
InChIInChI=1S/C14H22F3N3O2/c1-12(22,14(15,16)17)8-18-11(10-6-19-20(2)7-10)13(9-21)4-3-5-13/h6-7,11,18,21-22H,3-5,8-9H2,1-2H3
InChIKeyZCGUWOMVULMXMY-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.53
Rot. Bonds6

About 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol

1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 122154380) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID122154380
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCn1cc(C(NCC(C)(O)C(F)(F)F)C2(CO)CCC2)cn1
InChIInChI=1S/C14H22F3N3O2/c1-12(22,14(15,16)17)8-18-11(10-6-19-20(2)7-10)13(9-21)4-3-5-13/h6-7,11,18,21-22H,3-5,8-9H2,1-2H3
InChIKeyZCGUWOMVULMXMY-UHFFFAOYSA-N
XLogP1.53
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

{1-[amino(1-methyl-1H-pyrazol-4-yl)methyl]cyclobutyl}methanol
CID 119053274
1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
CID 164638093
{1-[1-({[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}amino)-2-methylpropyl]cyclobutyl}methanol
CID 137973951
2,2-Difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane
CID 168994259
(6R)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane
CID 176101202
5,5,5-Trifluoro-1-(1-propan-2-ylpyrazol-4-yl)pentan-1-ol
CID 108385251
(2R)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535668
(2R)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535669
(2S)-1,1,1-trifluoro-3-[[(S)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535670
(2S)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 125535671
(2S)-1,1,1-trifluoro-3-[[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 125536955

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol (CID 122154380) is 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol is Cn1cc(C(NCC(C)(O)C(F)(F)F)C2(CO)CCC2)cn1.
What is the InChIKey of 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is ZCGUWOMVULMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-12(22,14(15,16)17)8-18-11(10-6-19-20(2)7-10)13(9-21)4-3-5-13/h6-7,11,18,21-22H,3-5,8-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol?
1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 321.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 122154380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).