4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C22H26ClFN4O — CID 120962970

IUPAC4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCC2CNCC2O)c1.Cl
InChIInChI=1S/C22H25FN4O.ClH/c1-15-3-2-4-16(9-15)22-18(12-24-10-17-11-25-13-21(17)28)14-27(26-22)20-7-5-19(23)6-8-20;/h2-9,14,17,21,24-25,28H,10-13H2,1H3;1H
InChIKeyWPVJDQDHWQSNDW-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.08
Rot. Bonds6

About 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962970) has the molecular formula C22H26ClFN4O and a molecular weight of 416.93 g/mol. Its IUPAC name is 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962970
Molecular FormulaC22H26ClFN4O
Molecular Weight416.93 g/mol
Exact Mass416.18
IUPAC Name4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCC2CNCC2O)c1.Cl
InChIInChI=1S/C22H25FN4O.ClH/c1-15-3-2-4-16(9-15)22-18(12-24-10-17-11-25-13-21(17)28)14-27(26-22)20-7-5-19(23)6-8-20;/h2-9,14,17,21,24-25,28H,10-13H2,1H3;1H
InChIKeyWPVJDQDHWQSNDW-UHFFFAOYSA-N
XLogP3.08
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962385
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-(triazolidin-4-ylsulfanyl)ethanamine
CID 52974860
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
CID 29181710
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962970) is 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCC2CNCC2O)c1.Cl.
What is the InChIKey of 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is WPVJDQDHWQSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O.ClH/c1-15-3-2-4-16(9-15)22-18(12-24-10-17-11-25-13-21(17)28)14-27(26-22)20-7-5-19(23)6-8-20;/h2-9,14,17,21,24-25,28H,10-13H2,1H3;1H.
What are the key properties of 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).