2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol

C19H22N4O — CID 71166815

IUPAC2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol
SMILESCC(C)c1ccc(-c2nn(C(C)C)cc2-c2ccncn2)cc1O
InChIInChI=1S/C19H22N4O/c1-12(2)15-6-5-14(9-18(15)24)19-16(10-23(22-19)13(3)4)17-7-8-20-11-21-17/h5-13,24H,1-4H3
InChIKeyPVPRTZZZXFWNRJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.42
Rot. Bonds4

About 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol

2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol (PubChem CID 71166815) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol
PubChem CID71166815
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol
SMILESCC(C)c1ccc(-c2nn(C(C)C)cc2-c2ccncn2)cc1O
InChIInChI=1S/C19H22N4O/c1-12(2)15-6-5-14(9-18(15)24)19-16(10-23(22-19)13(3)4)17-7-8-20-11-21-17/h5-13,24H,1-4H3
InChIKeyPVPRTZZZXFWNRJ-UHFFFAOYSA-N
XLogP4.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol?
The IUPAC name of 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol (CID 71166815) is 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol.
What is the SMILES notation for 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol?
The canonical SMILES for 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol is CC(C)c1ccc(-c2nn(C(C)C)cc2-c2ccncn2)cc1O.
What is the InChIKey of 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol?
The InChIKey is PVPRTZZZXFWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)15-6-5-14(9-18(15)24)19-16(10-23(22-19)13(3)4)17-7-8-20-11-21-17/h5-13,24H,1-4H3.
What are the key properties of 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol?
2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol has a molecular weight of 322.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol is sourced from PubChem (CID 71166815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).