[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol

C19H21ClN4O2 — CID 176829001

IUPAC[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
SMILESCC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(CO)n2)nc1
InChIInChI=1S/C19H21ClN4O2/c1-19(2,3)16-5-4-6-17(20)15(16)12-26-14-9-21-18(22-10-14)24-8-7-13(11-25)23-24/h4-10,25H,11-12H2,1-3H3
InChIKeyPMFIOYLIEADCKP-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.68
Rot. Bonds5

About [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol

[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol (PubChem CID 176829001) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
PubChem CID176829001
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
SMILESCC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(CO)n2)nc1
InChIInChI=1S/C19H21ClN4O2/c1-19(2,3)16-5-4-6-17(20)15(16)12-26-14-9-21-18(22-10-14)24-8-7-13(11-25)23-24/h4-10,25H,11-12H2,1-3H3
InChIKeyPMFIOYLIEADCKP-UHFFFAOYSA-N
XLogP3.68
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol (CID 176829001) is [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol is CC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(CO)n2)nc1.
What is the InChIKey of [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol?
The InChIKey is PMFIOYLIEADCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-19(2,3)16-5-4-6-17(20)15(16)12-26-14-9-21-18(22-10-14)24-8-7-13(11-25)23-24/h4-10,25H,11-12H2,1-3H3.
What are the key properties of [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol?
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol has a molecular weight of 372.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol is sourced from PubChem (CID 176829001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).