(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol

C16H19N5O — CID 99843338

IUPAC(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1ccc(Cn2cnnc2[C@H](O)c2ccccc2)n1
InChIInChI=1S/C16H19N5O/c1-12(2)21-9-8-14(19-21)10-20-11-17-18-16(20)15(22)13-6-4-3-5-7-13/h3-9,11-12,15,22H,10H2,1-2H3/t15-/m1/s1
InChIKeyQVZVGMKNIXWULO-OAHLLOKOSA-N
MW297.36 g/mol
LogP2.19
Rot. Bonds5

About (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol

(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 99843338) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID99843338
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1ccc(Cn2cnnc2[C@H](O)c2ccccc2)n1
InChIInChI=1S/C16H19N5O/c1-12(2)21-9-8-14(19-21)10-20-11-17-18-16(20)15(22)13-6-4-3-5-7-13/h3-9,11-12,15,22H,10H2,1-2H3/t15-/m1/s1
InChIKeyQVZVGMKNIXWULO-OAHLLOKOSA-N
XLogP2.19
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol (CID 99843338) is (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol is CC(C)n1ccc(Cn2cnnc2[C@H](O)c2ccccc2)n1.
What is the InChIKey of (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is QVZVGMKNIXWULO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(2)21-9-8-14(19-21)10-20-11-17-18-16(20)15(22)13-6-4-3-5-7-13/h3-9,11-12,15,22H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol?
(R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 297.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 99843338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).