1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol

C17H26N4O — CID 111459377

IUPAC1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc2ncc(C(C)NCC3(O)CCCCC3)c(C)n2n1
InChIInChI=1S/C17H26N4O/c1-12-9-16-18-10-15(14(3)21(16)20-12)13(2)19-11-17(22)7-5-4-6-8-17/h9-10,13,19,22H,4-8,11H2,1-3H3
InChIKeyYWKBEYWRAWADRL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.69
Rot. Bonds4

About 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 111459377) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID111459377
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc2ncc(C(C)NCC3(O)CCCCC3)c(C)n2n1
InChIInChI=1S/C17H26N4O/c1-12-9-16-18-10-15(14(3)21(16)20-12)13(2)19-11-17(22)7-5-4-6-8-17/h9-10,13,19,22H,4-8,11H2,1-3H3
InChIKeyYWKBEYWRAWADRL-UHFFFAOYSA-N
XLogP2.69
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(2-Phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]butan-1-ol
CID 49795123
3-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2743009
(1S*,2S*)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexanol
CID 56902986
trans-4-[(5-Ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexanol
CID 70753715
(2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenyl-1-propanol
CID 56915314
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(3-methylmorpholin-4-yl)propan-1-amine
CID 75471330
[(1R,4S)-4-[1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86814996
N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine
CID 100647503
3-(2,5-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 101797155
(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 6926517
(5R)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 6926518
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 63226148

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol (CID 111459377) is 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1cc2ncc(C(C)NCC3(O)CCCCC3)c(C)n2n1.
What is the InChIKey of 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is YWKBEYWRAWADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-9-16-18-10-15(14(3)21(16)20-12)13(2)19-11-17(22)7-5-4-6-8-17/h9-10,13,19,22H,4-8,11H2,1-3H3.
What are the key properties of 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).