[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol

C15H15N3O — CID 66398924

IUPAC[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C15H15N3O/c19-12-13-6-8-17(10-13)11-14-7-9-18(16-14)15-4-2-1-3-5-15/h1-10,19H,11-12H2
InChIKeyRIWMKNDTWTZJKU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.21
Rot. Bonds4

About [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol

[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66398924) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66398924
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C15H15N3O/c19-12-13-6-8-17(10-13)11-14-7-9-18(16-14)15-4-2-1-3-5-15/h1-10,19H,11-12H2
InChIKeyRIWMKNDTWTZJKU-UHFFFAOYSA-N
XLogP2.21
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635
[4-[(1-phenylpyrazol-3-yl)methylsulfonylmethyl]phenyl]methanol
CID 110005750
[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
CID 66399961
2-(1-phenylpyrazol-3-yl)ethanamine
CID 47003016
1-[(1-phenylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 146130022
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
2-(1-phenylpyrazol-3-yl)acetaldehyde
CID 86021167
[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanol
CID 66398061
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
CID 115897888

Frequently Asked Questions

What is the IUPAC name of [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol (CID 66398924) is [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is RIWMKNDTWTZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-12-13-6-8-17(10-13)11-14-7-9-18(16-14)15-4-2-1-3-5-15/h1-10,19H,11-12H2.
What are the key properties of [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol?
[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).