N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine

C21H23FN4 — CID 110452430

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
SMILESFc1ccc(C(CNc2cnn(-c3ccccc3)c2)N2CCCC2)cc1
InChIInChI=1S/C21H23FN4/c22-18-10-8-17(9-11-18)21(25-12-4-5-13-25)15-23-19-14-24-26(16-19)20-6-2-1-3-7-20/h1-3,6-11,14,16,21,23H,4-5,12-13,15H2
InChIKeyDDFHLRQGOZLBHC-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.26
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine (PubChem CID 110452430) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
PubChem CID110452430
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
SMILESFc1ccc(C(CNc2cnn(-c3ccccc3)c2)N2CCCC2)cc1
InChIInChI=1S/C21H23FN4/c22-18-10-8-17(9-11-18)21(25-12-4-5-13-25)15-23-19-14-24-26(16-19)20-6-2-1-3-7-20/h1-3,6-11,14,16,21,23H,4-5,12-13,15H2
InChIKeyDDFHLRQGOZLBHC-UHFFFAOYSA-N
XLogP4.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
(E)-3-(1-phenylpyrazol-4-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 42923712
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 171145905
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
CID 82539438

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine (CID 110452430) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine is Fc1ccc(C(CNc2cnn(-c3ccccc3)c2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine?
The InChIKey is DDFHLRQGOZLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-18-10-8-17(9-11-18)21(25-12-4-5-13-25)15-23-19-14-24-26(16-19)20-6-2-1-3-7-20/h1-3,6-11,14,16,21,23H,4-5,12-13,15H2.
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine has a molecular weight of 350.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine is sourced from PubChem (CID 110452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).