(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol

C16H18N4O — CID 105097959

IUPAC(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-2-11-20-15(8-10-17-20)16(21)14-9-12-19(18-14)13-6-4-3-5-7-13/h3-10,12,16,21H,2,11H2,1H3
InChIKeyXMEMDJFPVSLVPC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.56
Rot. Bonds5

About (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol

(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 105097959) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID105097959
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-2-11-20-15(8-10-17-20)16(21)14-9-12-19(18-14)13-6-4-3-5-7-13/h3-10,12,16,21H,2,11H2,1H3
InChIKeyXMEMDJFPVSLVPC-UHFFFAOYSA-N
XLogP2.56
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol (CID 105097959) is (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is XMEMDJFPVSLVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-11-20-15(8-10-17-20)16(21)14-9-12-19(18-14)13-6-4-3-5-7-13/h3-10,12,16,21H,2,11H2,1H3.
What are the key properties of (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol?
(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 282.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 105097959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).