1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol

C16H24N4O — CID 70730149

IUPAC1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1cc(NCC2(O)CCCCC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-12(2)13-10-15(20-14(19-13)6-9-18-20)17-11-16(21)7-4-3-5-8-16/h6,9-10,12,17,21H,3-5,7-8,11H2,1-2H3
InChIKeyMFZCQTXPHSGTQB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.96
Rot. Bonds4

About 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol

1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 70730149) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol
PubChem CID70730149
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1cc(NCC2(O)CCCCC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-12(2)13-10-15(20-14(19-13)6-9-18-20)17-11-16(21)7-4-3-5-8-16/h6,9-10,12,17,21H,3-5,7-8,11H2,1-2H3
InChIKeyMFZCQTXPHSGTQB-UHFFFAOYSA-N
XLogP2.96
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973
N-(oxan-3-ylmethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56905068
2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56899989
(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
CID 95718721
(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95889222
3-[[[2-propan-2-yl-7-[(4-pyridin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 170983111
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95714013
5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95891617

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol (CID 70730149) is 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol is CC(C)c1cc(NCC2(O)CCCCC2)n2nccc2n1.
What is the InChIKey of 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MFZCQTXPHSGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)13-10-15(20-14(19-13)6-9-18-20)17-11-16(21)7-4-3-5-8-16/h6,9-10,12,17,21H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol?
1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 70730149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).