[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol

C16H21N3O — CID 61226185

IUPAC[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c(N2CCC(C)C2)c1CO
InChIInChI=1S/C16H21N3O/c1-12-8-9-18(10-12)16-15(11-20)13(2)17-19(16)14-6-4-3-5-7-14/h3-7,12,20H,8-11H2,1-2H3
InChIKeyWPYJOTCPQLIKSG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds3

About [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol

[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 61226185) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
PubChem CID61226185
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c(N2CCC(C)C2)c1CO
InChIInChI=1S/C16H21N3O/c1-12-8-9-18(10-12)16-15(11-20)13(2)17-19(16)14-6-4-3-5-7-14/h3-7,12,20H,8-11H2,1-2H3
InChIKeyWPYJOTCPQLIKSG-UHFFFAOYSA-N
XLogP2.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol (CID 61226185) is [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol is Cc1nn(-c2ccccc2)c(N2CCC(C)C2)c1CO.
What is the InChIKey of [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is WPYJOTCPQLIKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-8-9-18(10-12)16-15(11-20)13(2)17-19(16)14-6-4-3-5-7-14/h3-7,12,20H,8-11H2,1-2H3.
What are the key properties of [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol?
[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 61226185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).