1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

C21H23FN4 — CID 120909299

IUPAC1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1N
InChIInChI=1S/C21H23FN4/c1-15-11-25(14-20(15)23)12-17-13-26(19-5-3-2-4-6-19)24-21(17)16-7-9-18(22)10-8-16/h2-10,13,15,20H,11-12,14,23H2,1H3
InChIKeySFBOMXOIXCEGNL-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.46
Rot. Bonds4

About 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909299) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909299
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1N
InChIInChI=1S/C21H23FN4/c1-15-11-25(14-20(15)23)12-17-13-26(19-5-3-2-4-6-19)24-21(17)16-7-9-18(22)10-8-16/h2-10,13,15,20H,11-12,14,23H2,1H3
InChIKeySFBOMXOIXCEGNL-UHFFFAOYSA-N
XLogP3.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
2-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)tetrazole
CID 7716290
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
1-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046778
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577796
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103577002
1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909014
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (CID 120909299) is 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1N.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is SFBOMXOIXCEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-15-11-25(14-20(15)23)12-17-13-26(19-5-3-2-4-6-19)24-21(17)16-7-9-18(22)10-8-16/h2-10,13,15,20H,11-12,14,23H2,1H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 350.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).