4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol

C19H22N4O — CID 166312574

IUPAC4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol
SMILESCc1cnn2c(-c3ccccc3)cc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C19H22N4O/c1-13-12-20-23-17(14-5-3-2-4-6-14)11-18(22-19(13)23)21-15-7-9-16(24)10-8-15/h2-6,11-12,15-16,24H,7-10H2,1H3,(H,21,22)
InChIKeyAXVNQTODBOHDRY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.42
Rot. Bonds3

About 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol

4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol (PubChem CID 166312574) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol
PubChem CID166312574
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol
SMILESCc1cnn2c(-c3ccccc3)cc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C19H22N4O/c1-13-12-20-23-17(14-5-3-2-4-6-14)11-18(22-19(13)23)21-15-7-9-16(24)10-8-15/h2-6,11-12,15-16,24H,7-10H2,1H3,(H,21,22)
InChIKeyAXVNQTODBOHDRY-UHFFFAOYSA-N
XLogP3.42
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol (CID 166312574) is 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol is Cc1cnn2c(-c3ccccc3)cc(NC3CCC(O)CC3)nc12.
What is the InChIKey of 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol?
The InChIKey is AXVNQTODBOHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-12-20-23-17(14-5-3-2-4-6-14)11-18(22-19(13)23)21-15-7-9-16(24)10-8-15/h2-6,11-12,15-16,24H,7-10H2,1H3,(H,21,22).
What are the key properties of 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol?
4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166312574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).