[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C16H21N3O — CID 102788095

IUPAC[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cnn(-c3ccccc3)c2)C1CO
InChIInChI=1S/C16H21N3O/c1-13-7-8-18(16(13)12-20)10-14-9-17-19(11-14)15-5-3-2-4-6-15/h2-6,9,11,13,16,20H,7-8,10,12H2,1H3
InChIKeyZMDOXKPHRXELLY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds4

About [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 102788095) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID102788095
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cnn(-c3ccccc3)c2)C1CO
InChIInChI=1S/C16H21N3O/c1-13-7-8-18(16(13)12-20)10-14-9-17-19(11-14)15-5-3-2-4-6-15/h2-6,9,11,13,16,20H,7-8,10,12H2,1H3
InChIKeyZMDOXKPHRXELLY-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 102788095) is [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol is CC1CCN(Cc2cnn(-c3ccccc3)c2)C1CO.
What is the InChIKey of [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZMDOXKPHRXELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-7-8-18(16(13)12-20)10-14-9-17-19(11-14)15-5-3-2-4-6-15/h2-6,9,11,13,16,20H,7-8,10,12H2,1H3.
What are the key properties of [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).