2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C19H19ClN2OS — CID 59632397

IUPAC2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESC/C=C/c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C19H19ClN2OS/c1-4-7-13-10-11-17(24-13)16-12-18(19(2,3)23)21-22(16)15-9-6-5-8-14(15)20/h4-12,23H,1-3H3/b7-4+
InChIKeyKQBNYQPQBKHUIK-QPJJXVBHSA-N
MW358.89 g/mol
LogP5.51
Rot. Bonds4

About 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632397) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59632397
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESC/C=C/c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C19H19ClN2OS/c1-4-7-13-10-11-17(24-13)16-12-18(19(2,3)23)21-22(16)15-9-6-5-8-14(15)20/h4-12,23H,1-3H3/b7-4+
InChIKeyKQBNYQPQBKHUIK-QPJJXVBHSA-N
XLogP5.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632397) is 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol is C/C=C/c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is KQBNYQPQBKHUIK-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-4-7-13-10-11-17(24-13)16-12-18(19(2,3)23)21-22(16)15-9-6-5-8-14(15)20/h4-12,23H,1-3H3/b7-4+.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 358.89 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).